2091-46-5

炔丙基三苯基溴化膦(2091-46-5)核磁图(¹³CNMR)

CAS:2091-46-5

分子式:C21H18BrP

分子量: 381.25

InChI:InChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1

InChIKey: AFZDAWIXETXKRE-UHFFFAOYSA-M

Smiles:[P+](CC#C)(C1=CC=CC=C1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]

Mass

MS-IW-0851          
triphenyl(2-propynyl)phosphonium bromide
C21H18BrP           (Mass of molecular ion:    380)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      51.0       1.5
      57.0       1.0
      77.0       1.0
      79.0       2.1
      80.0       8.3
      81.0       2.1
      82.0       8.1
     107.0       8.7
     108.0      37.9
     109.0       2.9
     115.0       1.6
     131.0       1.4
     133.0       1.6
     152.0       6.3
     153.0       1.5
     154.0       1.3
     157.0       2.6
     170.0       1.6
     183.0      60.3
     184.0      18.9
     185.0       8.0
     186.0       1.0
     261.0      20.0
     262.0     100.0
     263.0      19.7
     264.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₁ H₁₈ Br P	0.034 g : 0.5 ml DMSO-d₆
triphenyl(2-propynyl)phosphonium bromide

    Assign.     Shift(ppm)

      A             7.951
      B             7.87
      C             7.82
      D             5.195
      E             3.494

     Hz     ppm     Int.

   3188.35   7.978     73
   3186.89   7.975    154
   3185.55   7.971    131
   3184.69   7.969    155
   3182.86   7.965    107
   3181.64   7.962    111
   3179.69   7.957    389
   3178.59   7.954    296
   3177.73   7.952    402
   3176.27   7.948    169
   3175.66   7.947    149
   3173.71   7.942    142
   3172.36   7.938    300
   3170.78   7.934    284
   3168.82   7.929    138
   3155.64   7.897    265
   3154.42   7.893    381
   3149.54   7.881    167
   3147.46   7.876    732
   3145.87   7.872    591
   3143.31   7.866    196
   3141.60   7.861    320
   3140.38   7.858    171
   3137.21   7.850    158
   3134.89   7.845   1000
   3133.42   7.841    980
   3129.52   7.831    632
   3126.46   7.823    581
   3122.56   7.814    583
   3118.41   7.803    247
   3116.09   7.798    111
   3114.38   7.793    183
   2086.18   5.221    198
   2083.50   5.214    200
   2069.46   5.179    196
   2066.77   5.172    199
   1402.83   3.511     83
   1400.02   3.504    217
   1397.34   3.497     89
   1396.00   3.494     94
   1393.19   3.487    209
   1390.63   3.480     79

in DMSO-d6