Didecyl phthalate(84-77-5) MS
Product NameDidecyl phthalate
CAS84-77-5
Molecular FormulaC28H46O4
Molecular Weight446.66
InChIInChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey PGIBJVOPLXHHGS-UHFFFAOYSA-N
SmilesC1(C(OCCCCCCCCCC)=O)=CC=CC=C1C(OCCCCCCCCCC)=O
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MassMS-IW-3864 didecyl phthalate C28H46O4 (Mass of molecular ion: 446)
Source Temperature: 150 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 1.0 29.0 2.9 39.0 1.0 41.0 7.9 42.0 2.7 43.0 13.6 54.0 1.1 55.0 9.5 56.0 5.3 57.0 10.8 67.0 1.4 68.0 1.6 69.0 6.0 70.0 4.6 71.0 5.0 76.0 2.1 82.0 1.7 83.0 4.4 84.0 2.2 85.0 4.2 97.0 2.5 98.0 1.2 104.0 2.8 105.0 1.7 111.0 1.3 112.0 1.6 123.0 1.5 140.0 2.3 141.0 1.7 148.0 1.0 149.0 100.0 150.0 10.4 151.0 1.2 167.0 3.8 289.0 3.3 290.0 1.5 307.0 25.1 308.0 5.0 446.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C28 H46 O4 0.05 ml : 0.5 ml CDCl3 didecyl phthalate 
Assign. Shift(ppm)
A 7.712 B 7.514 C 4.296 D 1.728 E 1.40 F 1.32 G 1.27 J 0.877
Hz ppm Int.3087.40 7.726 272 3083.98 7.717 280 3081.54 7.711 271 3078.25 7.703 344 3074.46 7.693 43 3073.73 7.692 41 3011.96 7.537 32 3011.11 7.535 41 3007.32 7.525 327 3003.91 7.517 232 3001.59 7.511 266 2998.29 7.503 285 2994.63 7.494 32 1724.00 4.314 352 1717.16 4.297 712 1710.45 4.280 368 705.44 1.766 59 698.73 1.749 186 691.77 1.731 240 683.84 1.712 225 677.00 1.694 88 567.99 1.422 102 566.04 1.417 105 560.91 1.404 164 557.37 1.395 143 552.37 1.383 150 546.14 1.367 126 538.33 1.348 152 526.00 1.317 256 519.53 1.300 391 506.71 1.268 1000 357.91 0.896 310 351.20 0.879 944 347.29 0.869 131 344.12 0.862 393
in CDCl3
liquid film
