ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>29122-68-7更多图谱> 阿替洛尔(29122-68-7)核磁图(13CNMR)

29122-68-7

阿替洛尔(29122-68-7)核磁图(13CNMR)

产品名称:阿替洛尔

CAS:29122-68-7

分子式:C14H22N2O3

分子量: 266.34

InChI:InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

Smiles:C1(CC(N)=O)=CC=C(OCC(O)CNC(C)C)C=C1

  • 图谱
    Mass

    MS-IW-9305          
    (p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide
    C14H22N2O3          (Mass of molecular ion:    266)
    

       Source Temperature: 160 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.3
          27.0       1.6
          28.0       2.6
          30.0      30.9
          39.0       1.1
          41.0       3.1
          42.0       1.8
          43.0       4.8
          44.0       3.0
          56.0       7.3
          57.0       2.8
          58.0       2.4
          60.0       1.4
          70.0       1.4
          71.0       1.3
          72.0     100.0
          73.0       4.8
          77.0       1.6
          98.0       1.6
         100.0       2.3
         102.0       2.0
         107.0       5.4
         116.0       2.0
         222.0       5.5
         251.0       1.9
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C14 H22 N2 O3 0.039 g : 0.5 ml DMSO-d6
    (p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.41 B 7.158 C 6.855 D *1 6.85 F 5.00 G 3.91 J 3.84 K 3.285 L *2 2.68 M *2 2.539 N 1.50 P *3 0.975 Q *3 0.970

         Hz     ppm     Int.
    

       2959.59   7.406    108
       2865.23   7.170    382
       2856.57   7.148    434
       2744.26   6.867    513
       2735.60   6.845    521
       1997.56   4.999     48
       1567.75   3.923    130
       1562.99   3.911    160
       1555.79   3.893     84
       1541.38   3.857     88
       1535.64   3.843    256
       1529.66   3.828    215
       1313.11   3.286    726
       1088.13   2.723     48
       1081.91   2.708    124
       1075.68   2.692    186
       1074.10   2.688    103
       1069.46   2.676    194
       1062.13   2.658    130
       1057.74   2.647    110
       1023.19   2.561    102
       1016.60   2.544    104
       1011.35   2.531     82
       1005.00   2.515     84
        392.70   0.983    995
        390.75   0.978   1000
        386.47   0.968    962
        384.52   0.963    938
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

liquid film

  • 图谱

×