109-57-9

烯丙基硫脲(109-57-9)核磁图(¹³CNMR)

产品名称:烯丙基硫脲

CAS:109-57-9

分子式:C4H8N2S

分子量: 116.18

InChI:InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

InChIKey: HTKFORQRBXIQHD-UHFFFAOYSA-N

Smiles:N(CC=C)C(N)=S

Mass

MS-NW-4960          
1-allyl-2-thiourea
C4H8N2S             (Mass of molecular ion:    116)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.2
      18.0       4.8
      26.0       3.6
      27.0       8.1
      28.0      50.2
      29.0       7.4
      30.0      36.6
      31.0       1.0
      32.0       3.1
      33.0       2.2
      34.0       2.7
      37.0       1.5
      38.0       3.3
      39.0      31.1
      40.0       3.2
      41.0      50.6
      42.0       5.7
      43.0      52.7
      44.0       2.6
      45.0       7.7
      46.0       1.3
      47.0       2.1
      48.0       1.6
      52.0       1.6
      53.0       1.7
      54.0       9.9
      55.0      14.3
      56.0      87.8
      57.0      38.2
      58.0       1.8
      59.0       5.8
      60.0      41.3
      61.0       8.1
      62.0       2.2
      71.0       1.9
      72.0       3.5
      73.0       2.9
      74.0       6.6
      76.0       1.5
      81.0       2.1
      82.0       3.2
      83.0       9.0
      98.0       1.2
     101.0      90.5
     102.0       4.6
     103.0       4.3
     115.0       5.4
     116.0     100.0
     117.0       6.3
     118.0       4.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₈ N₂ S	0.039 g : 0.5 ml DMSO-d₆
1-allyl-2-thiourea

    Assign.     Shift(ppm)

      A             7.78
      A             7.66
      B             7.01
      C             5.83
      D             5.147
      E             5.079
      F             4.04
      F             3.68

     Hz     ppm     Int.

   3111.94   7.787     60
   3062.74   7.664    219
   2802.49   7.013    257
   2329.59   5.830    195
   2067.87   5.175    385
   2066.28   5.171    942
   2064.58   5.166    985
   2062.99   5.162    430
   2050.54   5.131    359
   2049.07   5.128    844
   2047.36   5.123    880
   2045.65   5.119    392
   2036.99   5.097    460
   2035.64   5.094   1000
   2034.06   5.090    975
   2026.73   5.072    419
   2025.39   5.068    918
   2023.80   5.064    906
   1612.92   4.036    463
   1470.83   3.681    106

in CDCl3

in DMSO-d6