Diphenyl isophthalate(744-45-6) 13C NMR
Product NameDiphenyl isophthalate
CAS744-45-6
Molecular FormulaC20H14O4
Molecular Weight318.32
InChIInChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H
InChIKey FHESUNXRPBHDQM-UHFFFAOYSA-N
SmilesC1(C(OC2=CC=CC=C2)=O)=CC=CC(C(OC2=CC=CC=C2)=O)=C1
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MassMS-IW-2679 diphenyl isophthalate C20H14O4 (Mass of molecular ion: 318)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 2.0 50.0 2.2 51.0 1.0 65.0 2.3 75.0 1.7 76.0 16.2 77.0 2.8 94.0 1.1 104.0 16.1 105.0 1.7 115.0 2.5 141.0 7.1 169.0 2.2 225.0 100.0 226.0 15.6 227.0 1.7 318.0 12.2 319.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H14 O4 0.046 g : 0.5 ml CDCl3 diphenyl isophthalate 
Assign. Shift(ppm)
A 9.027 B 8.454 C 7.668 D 7.438 E 7.287 F 7.243
Hz ppm Int.3609.38 9.032 231 3607.67 9.028 410 3606.20 9.024 242 3383.79 8.467 538 3382.08 8.463 532 3379.15 8.456 43 3375.98 8.448 561 3374.27 8.444 566 3072.27 7.688 193 3064.58 7.669 362 3056.64 7.649 179 2983.89 7.467 87 2981.69 7.461 435 2979.74 7.456 204 2976.56 7.448 149 2974.24 7.443 817 2973.39 7.440 803 2967.65 7.426 284 2965.82 7.422 746 2963.62 7.416 126 2920.29 7.308 184 2919.19 7.305 356 2918.21 7.302 250 2913.21 7.290 187 2911.74 7.286 537 2910.28 7.283 220 2905.40 7.270 148 2904.30 7.268 255 2903.20 7.265 191 2899.78 7.256 825 2898.56 7.253 1000 2896.48 7.248 291 2892.09 7.237 463 2891.11 7.235 815 2889.89 7.232 899 2887.70 7.226 116
in CDCl3
KBr disc
nujol mull
