2-Ethylhexyl diphenyl phosphate(1241-94-7) 1H NMR
Product Name2-Ethylhexyl diphenyl phosphate
CAS1241-94-7
Molecular FormulaC20H27O4P
Molecular Weight362.4
InChIInChI=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
SmilesP(OC1=CC=CC=C1)(OC1=CC=CC=C1)(OCC(CC)CCCC)=O
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MassMS-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
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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
liquid film
4880 A,200 M,liquid
