701-13-3

吡咯烷二硫代氨基甲酸烯丙酯(701-13-3)核磁图(¹³CNMR)

产品名称:吡咯烷二硫代氨基甲酸烯丙酯

CAS:701-13-3

分子式:C8H13NS2

分子量: 187.33

InChI:InChI=1S/C8H13NS2/c1-2-7-11-8(10)9-5-3-4-6-9/h2H,1,3-7H2

InChIKey: GDQCWIUHBJJDNL-UHFFFAOYSA-N

Smiles:N1(C(=S)SCC=C)CCCC1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9485          
allyl 1-pyrrolidinecarbodithioate
C8H13NS2            (Mass of molecular ion:    187)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.3
      28.0      10.9
      29.0       3.3
      30.0       2.8
      39.0       9.4
      40.0       1.5
      41.0      18.2
      42.0       3.8
      43.0      10.3
      44.0       2.3
      45.0       4.3
      53.0       1.6
      54.0       1.6
      55.0      26.9
      56.0       2.9
      58.0       1.3
      59.0       1.6
      60.0       2.6
      68.0       4.1
      69.0       1.2
      70.0      53.1
      71.0       3.4
      72.0      43.9
      73.0       4.0
      74.0       3.0
      76.0       2.1
      77.0       6.4
      82.0       4.4
      85.0       2.3
      86.0       2.3
      87.0       1.7
      88.0       6.9
     100.0       1.3
     114.0     100.0
     115.0       7.7
     116.0       4.8
     120.0       1.2
     146.0      17.2
     147.0       1.6
     148.0       1.6
     154.0       3.6
     158.0       2.8
     161.0       1.8
     172.0       5.4
     187.0      40.7
     188.0       4.6
     189.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₃ N S₂	0.05 ml : 0.5 ml CDCl₃
allyl 1-pyrrolidinecarbodithioate

    Assign.     Shift(ppm)

      A             5.930
      B             5.303
      C             5.142
      D             4.001
      E     *1      3.922
      F     *1      3.654
      G     *2      2.081
      J     *2      1.986

     Hz     ppm     Int.

   2391.24   5.984    145
   2384.16   5.966    304
   2381.23   5.959    163
   2377.20   5.949    161
   2374.15   5.941    476
   2367.19   5.924    504
   2364.26   5.916    185
   2360.23   5.906    183
   2357.18   5.899    369
   2350.22   5.881    185
   2129.52   5.329    211
   2128.05   5.325    540
   2126.59   5.322    534
   2125.24   5.318    213
   2112.43   5.286    186
   2111.08   5.283    477
   2109.62   5.279    472
   2108.28   5.276    186
   2061.77   5.159    248
   2060.79   5.157    473
   2060.18   5.155    371
   2059.81   5.155    376
   2059.33   5.153    421
   2058.35   5.151    217
   2053.96   5.140     30
   2051.76   5.134    231
   2050.78   5.132    444
   2050.17   5.130    352
   2049.80   5.129    360
   2049.32   5.128    406
   2048.34   5.126    215
   1603.76   4.013    758
   1602.78   4.011   1000
   1601.44   4.008    686
   1596.80   3.996    730
   1595.70   3.993    984
   1594.48   3.990    695
   1574.58   3.940    535
   1567.63   3.923    868
   1560.67   3.906    536
   1467.16   3.672    503
   1460.45   3.655    884
   1453.49   3.637    575
    846.68   2.119    101
    845.70   2.117    105
    839.84   2.102    352
    838.87   2.100    375
    832.28   2.083    654
    825.32   2.066    525
    819.34   2.051    202
    818.60   2.049    202
    805.66   2.016    197
    804.69   2.014    182
    798.95   2.000    542
    791.50   1.981    636
    785.03   1.965    381
    778.32   1.948    113
    777.10   1.945    106

in CDCl3