2744-09-4

反-十氢异喹啉(2744-09-4)质谱(MS)

产品名称:反-十氢异喹啉

CAS:2744-09-4

分子式:C9H17N

分子量: 139.24

InChI:InChI=1/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2/t8-,9-/s3

InChIKey: NENLYAQPNATJSU-JQEWEITDNA-N

Smiles:C1[C@]2([H])[C@]([H])(CCCC2)CCN1 |&1:1,3,r|

¹HNMR

¹³CNMR

Mass

MS-KW-0414          
trans-decahydroisoquinoline
C9H17N              (Mass of molecular ion:    139)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       5.2
      28.0       3.7
      29.0       6.9
      30.0      46.2
      31.0       1.0
      39.0       7.6
      40.0       1.3
      41.0      16.9
      42.0      13.3
      43.0      32.0
      44.0     100.0
      45.0       3.6
      46.0       1.3
      51.0       1.2
      53.0       4.7
      54.0       6.0
      55.0      11.9
      56.0      24.8
      57.0      28.0
      58.0       3.0
      65.0       1.7
      66.0       1.0
      67.0      16.1
      68.0       5.9
      69.0       3.6
      70.0       6.3
      71.0       1.4
      77.0       2.1
      78.0       1.1
      79.0       6.2
      80.0       3.5
      81.0       6.1
      82.0      11.7
      83.0       3.4
      84.0       2.4
      85.0       1.1
      91.0       1.2
      93.0       4.3
      94.0       4.7
      95.0       3.5
      96.0      59.8
      97.0       6.2
      98.0       1.5
     107.0       1.2
     108.0       4.9
     109.0       4.5
     110.0       6.0
     111.0       2.7
     122.0       1.8
     124.0      10.6
     125.0       1.0
     136.0       1.0
     137.0       1.0
     138.0      40.8
     139.0      39.6
     140.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉H₁₇N	0.05 ml : 0.5 ml CDCl₃
trans-decahydroisoquinoline

    Assign.     Shift(ppm)

     A           3.041
     B           2.867
     C           2.615
     D           2.232
     E           1.71
     F           1.58
     G           1.51
     J           1.27
     L           1.03
     M           0.91
     
     assigned by C-H COSY

     Hz     ppm     Int.

   1223.64   3.061    295
   1222.05   3.057    353
   1220.46   3.053    291
   1211.55   3.031    321
   1209.84   3.027    377
   1208.26   3.023    312
   1152.96   2.884    409
   1150.64   2.879    388
   1142.22   2.858    435
   1138.68   2.849    412
   1058.35   2.648    451
   1055.55   2.641    470
   1046.15   2.617    821
   1043.34   2.610    807
   1033.94   2.587    424
   1031.13   2.580    404
    903.20   2.260    643
    892.83   2.234    702
    891.24   2.230    693
    880.86   2.204    627
    693.97   1.736    288
    690.92   1.729    415
    688.60   1.723    593
    686.28   1.717    579
    681.52   1.705    525
    679.45   1.700    555
    677.01   1.694    415
    633.92   1.586    343
    626.35   1.567    341
    610.60   1.528    687
    608.16   1.522    737
    597.91   1.496   1000
    595.34   1.490    926
    522.10   1.306    222
    518.56   1.298    353
    507.82   1.271    521
    479.25   1.199    165
    475.10   1.189    162
    468.14   1.171    224
    463.99   1.161    254
    455.69   1.140    302
    451.54   1.130    274
    443.00   1.109    230
    438.85   1.098    216
    433.96   1.086    234
    425.79   1.066    277
    422.61   1.058    350
    419.07   1.049    330
    415.65   1.040    295
    410.16   1.026    581
    400.64   1.003    617
    380.38   0.952    195
    377.20   0.944    207
    367.92   0.921    289
    364.51   0.912    318
    356.57   0.892    244
    353.03   0.884    243
    343.88   0.861    117
    340.46   0.852    123

in CDCl3