111-97-7

硫代丙二腈(111-97-7)核磁图(¹³CNMR)

产品名称:硫代丙二腈

CAS:111-97-7

分子式:C6H8N2S

分子量: 140.21

InChI:InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2

InChIKey: NDVLTZFQVDXFAN-UHFFFAOYSA-N

Smiles:S(CCC#N)CCC#N

Mass

MS-NW-1454          
3,3'-thiodipropionitrile
C6H8N2S             (Mass of molecular ion:    140)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       4.1
      26.0       5.2
      27.0       9.7
      28.0       8.3
      31.0       1.0
      32.0       1.5
      39.0       1.3
      40.0       1.3
      41.0       4.3
      42.0       4.0
      45.0      15.3
      46.0       6.9
      47.0       9.7
      51.0       2.1
      52.0       5.8
      53.0       2.6
      54.0     100.0
      55.0       5.8
      57.0       2.2
      58.0       3.0
      59.0       6.5
      60.0       4.2
      72.0       1.9
      73.0       5.3
      86.0       1.1
     100.0      54.5
     101.0       3.2
     102.0       2.6
     113.0       5.0
     140.0      22.2
     141.0       1.9
     142.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₈ N₂ S	0.04 ml : 0.5 ml CDCl₃
3,3'-thiodipropionitrile

    Assign.     Shift(ppm)

      A             2.89
      B             2.72

     Hz     ppm     Int.

    269.06   3.005    149
    266.06   2.971    209
    263.94   2.948    179
    260.19   2.906    394
    259.63   2.899   1000
    257.25   2.873     43
    256.69   2.867     37
    255.13   2.849    596
    254.00   2.837    704
    251.19   2.805     33
    248.06   2.770    691
    246.94   2.758    601
    245.06   2.737     43
    244.06   2.726     32
    242.38   2.707    922
    241.81   2.700    374
    238.06   2.659    179
    235.94   2.635    210
    232.94   2.601    152

in CDCl3