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90-39-1

(-)-鹰爪豆碱(90-39-1)质谱(MS)

产品名称:(-)-鹰爪豆碱

CAS:90-39-1

分子式:C15H26N2

分子量: 234.38

InChI:InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1

InChIKey: SLRCCWJSBJZJBV-ZQDZILKHSA-N

Smiles:N12CCCC[C@@]1([H])[C@@]1([H])C[C@@]([H])(C2)[C@@]2([H])CCCCN2C1

  • 图谱
    Mass

    MS2001-00883WA      
    sparteine
    C15H26N2            (Mass of molecular ion:    234)
    

       Source Temperature: 230 °C
       Sample Temperature: 300 °C
       Reservoir, 70 eV
    

          27.0       1.4
          28.0       1.8
          29.0       1.8
          30.0       1.6
          39.0       2.6
          41.0      12.6
          42.0       6.3
          43.0       1.5
          44.0       2.3
          53.0       2.9
          54.0       4.4
          55.0      10.8
          56.0       4.2
          65.0       1.5
          66.0       1.1
          67.0       6.6
          68.0       6.0
          69.0       4.5
          70.0       5.0
          77.0       1.9
          79.0       3.0
          80.0       4.5
          81.0       3.0
          82.0       5.6
          83.0       7.6
          84.0      15.2
          85.0       1.0
          89.0       1.3
          91.0       1.7
          92.0       1.0
          93.0       2.9
          94.0       4.8
          95.0       4.4
          96.0      10.1
          97.0      33.5
          98.0      85.0
          99.0       5.9
         106.0       2.8
         107.0       2.0
         108.0       5.2
         109.0       6.3
         110.0      21.0
         111.0       4.7
         117.0       2.4
         120.0       3.4
         121.0       2.2
         122.0      12.8
         123.0       7.1
         124.0      10.2
         125.0       1.6
         132.0       1.2
         134.0      16.1
         135.0       8.2
         136.0      39.8
         137.0     100.0
         138.0      13.5
         139.0       1.3
         148.0       7.7
         149.0       5.9
         150.0      17.3
         151.0       8.2
         152.0       5.5
         160.0       1.1
         162.0       3.9
         163.0       2.9
         164.0       3.3
         165.0       3.7
         166.0       1.2
         174.0       1.0
         175.0       1.1
         176.0       5.5
         177.0       5.4
         178.0       3.1
         190.0       3.6
         191.0      12.5
         192.0       5.3
         193.0      43.1
         194.0       5.9
         204.0       2.5
         205.0       7.4
         206.0       2.6
         218.0       1.2
         219.0       2.5
         231.0       1.3
         232.0       3.6
         233.0      15.5
         234.0      44.5
         235.0       7.4
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C15 H26 N2 0.05 ml : 0.5 ml CDCl3
    sparteine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.778 B 2.69 C 2.68 D 2.523 E 2.342 F 2.05 G 2.02 J 2.0 K 1.95 L 1.93 M 1.839 N 1.71 P 1.55 Q 1.49 R 1.46 S 1.38 T 1.34 U 1.23 V 1.048 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       1116.09   2.793    272
       1108.28   2.774    163
       1104.98   2.765    294
       1104.13   2.763    289
       1086.55   2.719    361
       1075.56   2.692   1000
       1064.58   2.664    712
       1016.60   2.544    218
       1014.28   2.538    321
       1011.96   2.533    230
       1005.62   2.517    253
       1003.42   2.511    360
       1000.98   2.505    252
        943.24   2.361    402
        939.70   2.352    418
        932.13   2.333    354
        928.59   2.324    365
        828.74   2.074    256
        826.90   2.070    258
        824.83   2.064    172
        822.75   2.059    167
        820.92   2.055    164
        818.97   2.050    172
        816.89   2.045    296
        814.70   2.039    378
        810.79   2.029    229
        805.30   2.016    615
        802.73   2.009    780
        798.71   1.999    322
        794.43   1.988    597
        791.87   1.982    603
        787.11   1.970    548
        783.69   1.961    409
        781.74   1.957    390
        775.88   1.942    593
        771.85   1.932    577
        764.77   1.914    191
        760.62   1.904    278
        742.43   1.858    190
        740.60   1.854    234
        738.77   1.849    238
        736.82   1.844    201
        734.38   1.838    181
        731.81   1.832    200
        729.86   1.827    226
        727.91   1.822    220
        726.07   1.817    170
        693.36   1.735    362
        682.01   1.707    757
        676.27   1.693    326
        671.88   1.682    445
        638.67   1.599    260
        635.38   1.590    366
        630.25   1.578    551
        628.78   1.574    449
        626.46   1.568    631
        622.92   1.559    403
        620.12   1.552    408
        616.94   1.544    484
        615.72   1.541    471
        612.55   1.533    521
        610.35   1.528    625
        606.93   1.519    766
        603.15   1.510    403
        597.53   1.496    463
        595.58   1.491    477
        591.80   1.481    195
        589.11   1.475    216
        586.30   1.468    399
        582.76   1.459    489
        580.44   1.453    373
        561.16   1.405    276
        557.25   1.395    244
        549.80   1.376    351
        546.02   1.367    280
        543.82   1.361    158
        537.11   1.344    383
        534.42   1.338    260
        532.59   1.333    200
        526.00   1.317    512
        521.00   1.304    254
        517.70   1.296    378
        513.92   1.286    309
        504.39   1.263    195
        502.69   1.258    249
        500.12   1.252    365
        498.66   1.248    414
        495.97   1.242    352
        492.19   1.232    184
        487.92   1.221    434
        484.74   1.213    413
        478.52   1.198    174
        473.02   1.184    194
        427.37   1.070    261
        424.80   1.063    466
        422.36   1.057    264
        415.41   1.040    259
        412.96   1.034    448
        410.52   1.028    249
    

Liquid film

  • 图谱

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