1005-56-7

硫代氯甲酸苯酯(1005-56-7)核磁圖(¹HNMR)

產(chǎn)品名稱:硫代氯甲酸苯酯

CAS:1005-56-7

分子式:C7H5ClOS

分子量: 172.63

InChI:InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H

InChIKey: KOSYAAIZOGNATQ-UHFFFAOYSA-N

Smiles:C(Cl)(=S)OC1=CC=CC=C1

Mass

MS-IW-1511          
o-phenyl chloro(thioformate)
C7H5ClOS            (Mass of molecular ion:    172)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.0
      32.0       1.9
      36.0       1.0
      37.0       2.2
      38.0       5.6
      39.0      19.5
      40.0       1.2
      44.0       3.2
      49.0       1.0
      50.0      10.6
      51.0      29.3
      52.0       1.4
      60.0       4.6
      61.0       1.2
      62.0       2.5
      63.0       6.4
      64.0       2.4
      65.0      19.9
      66.0       3.0
      68.5       1.1
      69.0       1.6
      74.0       3.0
      75.0       2.2
      76.0       3.2
      77.0      96.5
      78.0       6.9
      79.0      79.7
      80.0       1.6
      81.0      29.6
      83.0       1.3
      93.0       1.1
      94.0       8.9
      95.0       1.0
     108.0       2.4
     109.0      68.6
     110.0       5.6
     111.0       3.5
     112.0       4.3
     114.0       1.4
     137.0     100.0
     138.0       8.5
     139.0       5.2
     144.0       5.7
     146.0       2.2
     172.0      24.3
     173.0       2.2
     174.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl O S	0.05 ml : 0.5 ml CDCl₃
o-phenyl chloro(thioformate)

    Assign.     Shift(ppm)

      A             7.406
      B             7.293
      C             7.101

     Hz     ppm     Int.

   2970.46   7.433     87
   2968.63   7.429    321
   2967.90   7.427    382
   2966.06   7.422    215
   2963.26   7.415    122
   2961.91   7.412    253
   2960.69   7.409    717
   2960.08   7.407    695
   2959.23   7.405    611
   2957.52   7.401    173
   2954.22   7.393    305
   2952.39   7.388    692
   2949.83   7.382    143
   2922.36   7.313    224
   2921.26   7.310    449
   2920.04   7.307    268
   2917.24   7.300     33
   2915.53   7.296    197
   2913.70   7.291    509
   2911.99   7.287    193
   2909.91   7.282     30
   2907.47   7.276    144
   2906.37   7.273    264
   2905.27   7.270    147
   2845.21   7.120    199
   2843.51   7.116    759
   2842.41   7.113   1000
   2840.21   7.107    299
   2836.79   7.099    281
   2835.94   7.097    445
   2834.84   7.094    803
   2833.74   7.091    838
   2831.05   7.084    118

in CDCl3