824-72-6

苯膦酰二氯(824-72-6)核磁圖(¹HNMR)

產(chǎn)品名稱:苯膦酰二氯

CAS:824-72-6

分子式:C6H5Cl2OP

分子量: 194.98

InChI:InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey: IBDMRHDXAQZJAP-UHFFFAOYSA-N

Smiles:C1=CC=C(P(Cl)(Cl)=O)C=C1

Mass

MS-NW-8342          
phenylphosphonic dichloride
C6H5Cl2OP           (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       3.1
      28.0       1.5
      36.0       4.0
      37.0       1.2
      38.0       2.3
      39.0       3.8
      47.0      15.2
      49.0       1.1
      50.0      18.9
      51.0      46.6
      52.0       2.3
      62.0       1.0
      63.0       1.1
      65.0       6.9
      68.0       1.0
      73.0       1.2
      74.0       6.0
      75.0       5.5
      76.0       5.6
      77.0      95.6
      78.0       6.4
      80.0       1.0
      93.0       4.6
     101.0       1.7
     103.0       1.2
     107.0       1.4
     112.0       4.9
     114.0       1.6
     159.0     100.0
     160.0       6.7
     161.0      32.5
     162.0       2.2
     194.0      40.9
     195.0       2.8
     196.0      26.2
     197.0       1.8
     198.0       4.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Cl₂ O P	0.05 ml : 0.5 ml CDCl₃
phenylphosphonic dichloride

    Assign.     Shift(ppm)

      A             7.975
      B             7.700
      C             7.598

     Hz     ppm     Int.

   3201.05   8.010    593
   3199.83   8.007    659
   3199.10   8.005    352
   3198.49   8.004    339
   3194.70   7.994    233
   3192.87   7.990    772
   3191.41   7.986    678
   3183.11   7.965    578
   3181.88   7.962    656
   3181.03   7.960    356
   3180.54   7.959    337
   3176.76   7.949    223
   3174.93   7.945    748
   3173.34   7.941    683
   3087.28   7.725    190
   3086.06   7.722    196
   3084.96   7.720    200
   3083.62   7.716    134
   3081.91   7.712    153
   3079.83   7.707    486
   3077.76   7.702    483
   3075.56   7.696    172
   3073.61   7.691    220
   3072.39   7.688    356
   3071.04   7.685    349
   3069.82   7.682    340
   3068.60   7.679    182
   3047.00   7.625    162
   3045.65   7.621    532
   3045.29   7.620    541
   3043.82   7.617    279
   3038.82   7.604    922
   3037.48   7.601   1000
   3036.01   7.597    319
   3031.01   7.585    867
   3025.15   7.570    166
   3023.44   7.566    339

in CDCl3