1501-84-4

盐酸金刚乙胺(1501-84-4)核磁图(¹³CNMR)

产品名称:盐酸金刚乙胺

CAS:1501-84-4

分子式:C12H22ClN

分子量: 215.76

InChI:InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H

InChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-N

Smiles:C1C2CC3(C(N)C)CC1CC(C3)C2.Cl

Mass

MS-IW-8192          
1-(1-adamantyl)ethylamine hydrochloride
C12H21N HCl         (Mass of molecular ion:    179)

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

      17.0       1.6
      18.0       8.6
      27.0       1.1
      28.0       1.5
      30.0       1.0
      36.0      11.5
      38.0       3.7
      39.0       1.7
      41.0       3.8
      42.0       1.6
      43.0      71.9
      44.0     100.0
      45.0       3.2
      53.0       1.4
      55.0       2.1
      65.0       1.1
      67.0       3.8
      69.0       1.1
      77.0       3.2
      78.0       1.2
      79.0       9.6
      80.0       2.0
      81.0       2.5
      91.0       4.6
      92.0       2.8
      93.0       8.6
      94.0       2.1
     105.0       4.5
     106.0       2.3
     107.0       3.2
     119.0       2.0
     120.0       1.5
     134.0       1.2
     135.0       6.3
     162.0       4.4
     164.0       3.3
     177.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₁ N	0.034 g : 0.5 ml CDCl₃
1-(1-adamantyl)ethylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.3
      B             2.94
      C             2.04
      D          1.69 to 1.64
      E             1.339

     Hz     ppm     Int.

   3333.13   8.341     32
   3330.69   8.335     38
   3328.37   8.329     46
   3324.58   8.319     62
   3310.55   8.284    161
   3309.94   8.283    161
   3309.33   8.281    160
   3288.82   8.230     34
   1174.68   2.940     87
   1173.95   2.938     86
   1173.34   2.936     85
   1172.85   2.935     83
   1169.80   2.928     87
   1169.19   2.926     87
    817.87   2.047    494
    672.24   1.683    693
    662.60   1.658   1000
    650.27   1.628    356
    538.57   1.348    914
    531.74   1.331    917

in CDCl3