Diallyl phthalate(131-17-9) 13C NMR
Product NameDiallyl phthalate
CAS131-17-9
Molecular FormulaC14H14O4
Molecular Weight246.26
InChIInChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKey QUDWYFHPNIMBFC-UHFFFAOYSA-N
SmilesC1(C(OCC=C)=O)=CC=CC=C1C(OCC=C)=O
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MassMS-NW-0275 diallyl phthalate C14H14O4 (Mass of molecular ion: 246)
Source Temperature: 140 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 1.3 39.0 9.7 41.0 100.0 42.0 3.7 43.0 2.1 50.0 3.1 51.0 1.2 57.0 1.3 65.0 3.6 76.0 6.4 77.0 2.2 80.0 1.7 83.0 1.0 93.0 2.9 98.0 14.6 99.0 1.0 104.0 10.5 105.0 2.9 115.0 1.0 121.0 2.5 132.0 13.8 133.0 1.5 149.0 53.7 150.0 4.9 172.0 2.9 188.0 8.5 189.0 24.4 190.0 3.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H14 O4 10.6 mol% in CDCl3 diallyl phthalate 
Assign. Shift(ppm)
A 7.72 B 7.53 C 5.97 D 5.38 E 5.26 F 4.788
Hz ppm Int.697.63 7.790 291 694.19 7.752 383 692.31 7.731 287 691.25 7.719 366 688.56 7.689 609 688.19 7.685 555 684.63 7.645 185 680.38 7.597 176 676.69 7.556 624 673.56 7.521 320 672.56 7.510 264 670.81 7.491 370 667.44 7.453 304 557.63 6.227 86 551.94 6.163 165 547.50 6.114 121 546.38 6.101 110 541.81 6.050 198 540.44 6.035 161 536.38 5.990 141 534.69 5.971 259 530.31 5.922 210 529.25 5.910 195 524.94 5.862 307 524.56 5.858 314 519.25 5.798 246 490.88 5.482 170 489.44 5.465 451 487.69 5.446 596 486.25 5.430 272 477.63 5.334 249 476.44 5.320 513 475.81 5.313 276 475.25 5.307 338 474.69 5.301 379 473.63 5.289 272 472.25 5.274 309 470.69 5.256 291 469.13 5.239 156 467.63 5.222 150 466.38 5.208 332 465.81 5.202 202 465.13 5.194 261 464.63 5.188 312 463.44 5.175 166 432.56 4.830 720 431.38 4.817 1000 430.00 4.802 598 427.06 4.769 560 425.75 4.754 920 424.38 4.739 559
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
