287-27-4

硫化环丙烷(287-27-4)核磁图(¹³CNMR)

产品名称:硫化环丙烷

CAS:287-27-4

分子式:C3H6S

分子量: 74.14

InChI:InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2

InChIKey: XSROQCDVUIHRSI-UHFFFAOYSA-N

Smiles:S1CCC1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-0986          
thietane
C3H6S               (Mass of molecular ion:     74)

   Source Temperature: 240 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      26.0       2.2
      27.0       4.9
      28.0       2.1
      38.0       1.5
      39.0       8.6
      40.0       1.0
      41.0      10.8
      43.0       1.3
      44.0       1.2
      45.0      20.6
      46.0     100.0
      47.0       6.5
      48.0       4.6
      58.0       1.8
      59.0       2.1
      69.0       1.3
      71.0       1.7
      73.0       3.1
      74.0      63.5
      75.0       2.7
      76.0       3.3

90 MHz in CDCl3

parameter neat

¹H NMR	89.56 MHz
C₃ H₆ S	0.02 ml : 0.5 ml CDCl₃
thietane

    Assign.     Shift(ppm)

      A             3.234
      B             2.972

     Hz     ppm     Int.

    303.25   3.386     78
    300.44   3.355    129
    299.38   3.343    148
    297.94   3.327    208
    297.38   3.321    228
    296.31   3.309    161
    293.50   3.278    133
    292.94   3.271    114
    291.00   3.250   1000
    290.38   3.243    364
    289.56   3.234    217
    288.94   3.227    161
    288.25   3.219     93
    285.13   3.184    727
    283.94   3.171    275
    283.00   3.160    274
    281.94   3.149    141
    276.94   3.093    211
    274.56   3.066    199
    272.81   3.047    110
    272.25   3.040     77
    270.31   3.019    341
    268.88   3.003    179
    268.00   2.993     76
    264.94   2.959    127
    264.13   2.950    224
    263.25   2.940    240
    260.88   2.913    178
    260.13   2.905     80
    257.00   2.870    139
    254.25   2.839    109

¹H NMR	300 MHz
C₃ H₆ S	neat
thietane

    Parameter     ppm  Hz

      D(A)         3.214
      D(B)         2.943
       J(A,A')        -8.70
       J(A,A'')        1.20
       J(A,A''')      -0.20
       J(A,B)          8.93
       J(A,B')         6.27
       J(A',A'')      -0.20
       J(A',A''')      1.20
       J(A',B)         6.27
       J(A',B')        8.93
       J(A'',A''')
                      -8.70
       J(A'',B)        8.93
       J(A'',B')       6.27
       J(A''',B)       6.27
       J(A''',B')      8.93
       J(B,B')       -11.73
     
     LOZAC'H,R. & BRAILLON,B. J.CHIM.PHYS. 67, 340 (1970)

     Hz     ppm     Int.

    972.40   3.241    360
    971.72   3.239    379
    964.60   3.215   1000
    961.17   3.204     52
    960.37   3.201     55
    959.71   3.199     55
    957.32   3.191    587
    956.84   3.189    577
    897.84   2.993     94
    896.57   2.989     91
    893.29   2.978     32
    890.20   2.967    258
    888.61   2.962    142
    886.89   2.956     41
    885.65   2.952     27
    882.15   2.940    286
    878.66   2.929     31
    875.63   2.919    135
    874.28   2.914    172
    873.10   2.910     66
    871.44   2.905     14
    867.75   2.892     46
    866.43   2.888     44

in CDCl3