14099-81-1

1,2,3,4-四氢异喹啉盐酸盐(14099-81-1)核磁图(¹HNMR)

产品名称:1,2,3,4-四氢异喹啉盐酸盐

CAS:14099-81-1

分子式:C9H12ClN

分子量: 169.65

InChI:InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H

InChIKey: MGFREDWKELGWML-UHFFFAOYSA-N

Smiles:C12CCNCC=1C=CC=C2.Cl

Mass

MS-IW-8681          
1,2,3,4-tetrahydroisoquinoline hydrochloride
C9H11N HCl          (Mass of molecular ion:    133)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       1.9
      27.0       1.4
      28.0       2.5
      35.0       1.8
      36.0      21.6
      38.0       7.2
      39.0       3.0
      42.0       1.3
      50.0       2.7
      51.0       7.1
      52.0       2.4
      53.0       1.0
      63.0       2.8
      64.0       1.2
      64.5       6.7
      65.0       6.6
      65.5       7.4
      66.0       2.5
      66.5       1.7
      74.0       1.4
      75.0       1.7
      76.0       2.3
      77.0      14.1
      78.0      15.6
      79.0       3.7
      89.0       1.9
      90.0       2.3
      91.0       2.8
     101.0       1.2
     102.0       5.3
     103.0      21.6
     104.0      95.8
     105.0      21.6
     106.0       1.7
     115.0       4.9
     116.0       1.1
     117.0      11.9
     118.0       1.9
     128.0       2.1
     129.0       7.3
     130.0      15.7
     131.0       5.6
     132.0     100.0
     133.0      56.4
     134.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₁ N	0.040 g : 0.5 ml DMSO-d₆
1,2,3,4-tetrahydroisoquinoline hydrochloride

    Assign.     Shift(ppm)

      A             9.94
      B             7.22
      C             4.21
      D             3.30
      E             3.011

     Hz     ppm     Int.

   3972.32   9.940    187
   2904.66   7.269     34
   2901.46   7.261     62
   2898.56   7.253    103
   2895.36   7.245    205
   2893.22   7.240    275
   2889.10   7.230    751
   2887.27   7.225   1000
   2885.13   7.220    596
   2883.30   7.215    586
   2879.18   7.205    308
   2874.60   7.193    139
   2873.69   7.191    147
   1682.89   4.211    503
   1320.34   3.304    307
   1315.00   3.291    198
   1209.72   3.027    290
   1203.46   3.012    507
   1197.20   2.996    238

in DMSO-d6