628-30-8

异氰酸丙酯(628-30-8)质谱(MS)

产品名称:异氰酸丙酯

CAS:628-30-8

分子式:C4H7NS

分子量: 101.17

InChI:InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N

Smiles:C(N=C=S)CC

Mass

MS-NW-7773          
propyl isothiocyanate
C4H7NS              (Mass of molecular ion:    101)

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

      15.0       3.3
      26.0       5.1
      27.0      44.1
      28.0       6.9
      29.0       6.5
      30.0       1.1
      32.0       2.8
      37.0       1.5
      38.0       2.9
      39.0      18.7
      40.0       4.8
      41.0      54.5
      42.0      26.7
      43.0      65.8
      44.0       5.0
      45.0      12.4
      46.0       2.4
      57.0       1.0
      58.0       3.4
      59.0       8.9
      60.0      10.3
      70.0       2.9
      71.0       3.2
      72.0      49.4
      73.0       4.8
      74.0       2.8
      86.0       2.3
     100.0       3.4
     101.0     100.0
     102.0       6.1
     103.0       4.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₇ N S	0.05 ml : 0.5 ml CDCl₃
propyl isothiocyanate

    Assign.     Shift(ppm)

      A             3.498
      B             1.732
      C             1.040

     Hz     ppm     Int.

    320.00   3.574    374
    318.13   3.553     64
    317.50   3.546     65
    313.63   3.502    749
    310.50   3.467     60
    307.00   3.428    434
    174.19   1.945     34
    173.56   1.938     33
    166.19   1.856    135
    164.50   1.837     41
    159.88   1.786    241
    153.38   1.713    219
    152.63   1.705    259
    149.38   1.668     54
    145.81   1.629    189
    144.88   1.618    127
    139.44   1.557     54
    138.56   1.548     49
    100.00   1.117    395
     99.31   1.109    568
     92.44   1.033   1000
     88.06   0.984     74
     85.50   0.955    253
     84.75   0.947    345
     83.81   0.936    191

in CDCl3