1241-94-7

磷酸二苯基異辛酯(1241-94-7)核磁圖(¹HNMR)

分子式:C20H27O4P

分子量: 362.4

InChI:InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3

InChIKey: CGSLYBDCEGBZCG-UHFFFAOYSA-N

Smiles:P(OC1=CC=CC=C1)(OC1=CC=CC=C1)(OCC(CC)CCCC)=O

Mass

MS-NW-9360          
2-ethylhexyl diphenyl phosphate
C20H27O4P           (Mass of molecular ion:    362)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0       1.1
      29.0       3.4
      39.0       2.2
      41.0       7.3
      42.0       1.1
      43.0       6.4
      51.0       1.8
      55.0       6.3
      56.0       2.1
      57.0       4.9
      65.0       4.5
      66.0       1.1
      69.0       2.4
      70.0       6.5
      71.0       2.2
      77.0       8.8
      83.0       4.1
      84.0       1.4
      90.0       1.1
      91.0       1.1
      93.0       1.2
      94.0      17.1
      95.0       2.1
     112.0       2.8
     141.0       1.1
     152.0       1.4
     153.0       1.9
     168.0       1.1
     169.0       2.3
     170.0       7.1
     171.0       1.0
     175.0       7.6
     215.0       1.0
     232.0       1.4
     233.0       1.0
     249.0      10.4
     250.0      26.9
     251.0     100.0
     252.0      13.3
     253.0       1.6
     325.0       1.1
     326.0       1.8
     362.0      19.0
     363.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₂₇ O₄ P	0.05 ml : 0.5 ml CDCl₃
2-ethylhexyl diphenyl phosphate

    Assign.     Shift(ppm)

      A             7.321
      B             7.230
      C             7.169
      D             4.163
      E             1.570
      F             1.35
      G             1.27
      J             1.24
      K             0.861
      L             0.854

     Hz     ppm     Int.

   2937.62   7.351     50
   2936.89   7.349     55
   2935.18   7.345    247
   2933.35   7.340    113
   2932.62   7.338    101
   2931.52   7.336     60
   2930.54   7.333     85
   2928.22   7.327    392
   2927.49   7.326    481
   2926.76   7.324    516
   2924.07   7.317    104
   2921.51   7.311    163
   2919.43   7.305    479
   2917.11   7.300    105
   2916.63   7.298     92
   2897.83   7.251     46
   2896.36   7.248    127
   2894.65   7.243    413
   2893.43   7.240    732
   2892.33   7.238    575
   2890.01   7.232    160
   2889.04   7.229     80
   2887.82   7.226    151
   2886.84   7.224    252
   2885.74   7.221    421
   2884.64   7.218    508
   2883.67   7.216    295
   2881.10   7.210     58
   2873.05   7.189    130
   2872.07   7.187    216
   2871.09   7.185    207
   2870.00   7.182     95
   2864.62   7.168    321
   2863.89   7.166    319
   2858.52   7.153     75
   2857.30   7.150    139
   2856.32   7.148    146
   2855.22   7.145     72
   1669.56   4.178    215
   1669.07   4.177    204
   1663.70   4.163    382
   1658.33   4.150    204
   1657.59   4.148    199
    635.01   1.589     48
    632.08   1.582     32
    629.39   1.575     69
    628.91   1.574     71
    625.61   1.566     35
    623.29   1.560     62
    622.92   1.559     62
    617.31   1.545     31
    616.82   1.544     31
    556.40   1.393     48
    555.30   1.390     30
    552.00   1.382     45
    548.83   1.374    116
    544.68   1.363    117
    542.36   1.358    123
    541.38   1.355    129
    538.09   1.347    136
    537.35   1.345    136
    534.79   1.339    117
    530.76   1.329    136
    527.47   1.320     69
    525.88   1.316     50
    525.27   1.315     52
    523.44   1.310     89
    522.22   1.307     76
    521.24   1.305     71
    520.75   1.304     69
    520.26   1.302     70
    519.90   1.301     71
    519.53   1.300     71
    514.16   1.287    135
    508.18   1.272    169
    504.27   1.262    155
    502.69   1.258    188
    351.07   0.879    255
    350.34   0.877    238
    348.51   0.873    572
    344.24   0.862    591
    340.94   0.854   1000
    337.28   0.844    256
    333.50   0.835    437

in CDCl3