3878-45-3

三苯基瞵硫(3878-45-3)質(zhì)譜(MS)

產(chǎn)品名稱:三苯基瞵硫

CAS:3878-45-3

分子式:C18H15PS

分子量: 294.35

InChI:InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey: VYNGFCUGSYEOOZ-UHFFFAOYSA-N

Smiles:P(=S)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

Mass

MS-NW-6725          
triphenylphosphine sulfide
C18H15PS            (Mass of molecular ion:    294)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.3
      27.0       4.5
      38.0       1.2
      39.0      10.2
      45.0       1.6
      50.0      11.4
      51.0      41.4
      52.0       3.5
      56.0       2.0
      57.0       7.0
      62.0       1.4
      63.0      21.6
      65.0       7.5
      68.0       1.0
      69.0       4.4
      74.0       4.0
      75.0       3.7
      76.0       3.0
      77.0      27.8
      78.0       4.2
      80.0       2.8
      81.0       6.5
      82.0       2.6
      83.0       2.9
      87.0       1.1
      89.0       2.2
      91.0       1.3
      95.0       1.0
     102.0       2.1
     107.0      25.9
     108.0      15.2
     109.0       8.3
     115.0       7.8
     116.0       1.0
     120.0       1.0
     126.0       1.8
     127.0       1.4
     128.0       2.8
     131.0       1.1
     133.0       5.5
     139.0      34.7
     140.0       4.3
     141.0       4.2
     150.0       1.0
     151.0       2.3
     152.0      17.6
     153.0       5.1
     154.0       2.6
     157.0       7.2
     158.0       1.1
     159.0       1.2
     170.0       4.8
     171.0       1.4
     181.0       3.0
     182.0       1.7
     183.0     100.0
     184.0      17.6
     185.0      61.7
     186.0       9.1
     189.0       1.2
     215.0       9.2
     216.0       1.6
     217.0      10.5
     218.0       1.6
     259.0       1.1
     261.0       6.7
     262.0      15.6
     263.0       3.2
     293.0      40.2
     294.0      72.3
     295.0      15.9
     296.0       4.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₅ P S	0.032 g : 0.5 ml CDCl₃
triphenylphosphine sulfide

    Assign.     Shift(ppm)

      A             7.721
      B             7.503
      C             7.441
     
     J(A,P-31)=13.3HZ, J(B,P-31)=2.1HZ, J(C,P-31)=3.1HZ
     90MHZ : HSP-03-787

     Hz     ppm     Int.

   3104.98   7.770     31
   3099.49   7.756    126
   3097.41   7.751    601
   3096.44   7.748    827
   3094.73   7.744    400
   3091.43   7.736    271
   3089.48   7.731   1000
   3087.77   7.727    822
   3086.43   7.723    183
   3084.11   7.718    620
   3083.13   7.715    818
   3081.42   7.711    403
   3078.00   7.702    265
   3075.93   7.697    993
   3074.46   7.693    800
   3015.01   7.545     31
   3013.43   7.541     36
   3009.77   7.532    111
   3008.42   7.528    200
   3006.35   7.523    206
   3005.00   7.520    152
   3003.78   7.517    165
   3001.22   7.510    544
   2999.02   7.505    616
   2996.70   7.499    214
   2995.24   7.495    321
   2993.77   7.491    542
   2991.70   7.486    511
   2990.36   7.483    267
   2987.92   7.477     77
   2982.91   7.464    208
   2980.96   7.459    762
   2979.74   7.456    462
   2977.91   7.452    774
   2976.68   7.449    385
   2974.85   7.444    583
   2973.51   7.441    957
   2971.80   7.437    742
   2970.46   7.433    964
   2968.63   7.429    317
   2968.26   7.428    301
   2966.31   7.423    453
   2964.97   7.419    383
   2963.26   7.415    428
   2962.04   7.412    249

¹H NMR	89.56 MHz
C₁₈ H₁₅ P S	0.045 g : 0.5 ml CDCl₃
triphenylphosphine sulfide

    Assign.     Shift(ppm)

      A             7.709
      B          7.52 to 7.38

     Hz     ppm     Int.

    703.19   7.852    377
    701.06   7.828    443
    699.63   7.812    116
    698.00   7.794    259
    697.19   7.785    240
    696.56   7.778    326
    695.75   7.769    237
    694.31   7.753    281
    693.38   7.743    591
    691.50   7.722    109
    690.13   7.706    333
    688.06   7.683    396
    686.56   7.666    118
    685.81   7.658    163
    685.13   7.650    292
    683.63   7.634    302
    683.19   7.629    308
    681.69   7.612    170
    681.06   7.605    305
    680.31   7.597    686
    678.75   7.579    144
    677.44   7.565     99
    677.13   7.561     94
    675.75   7.546    143
    674.25   7.529    214
    673.19   7.517    276
    671.25   7.495   1000
    669.13   7.472    992
    668.38   7.463    952
    667.19   7.450    555
    666.50   7.442    805
    665.94   7.436    738
    663.94   7.414    559
    662.88   7.402    306
    662.13   7.394    290
    661.06   7.382    385
    659.69   7.366    154
    658.13   7.349     60
    657.69   7.344     67
    657.00   7.336     49
    656.25   7.328    114
    655.75   7.322     58
    655.00   7.314     50

in CDCl3