Bis(2-ethylhexyl) phthalate(117-81-7) IR1
Product NameBis(2-ethylhexyl) phthalate
CAS117-81-7
Molecular FormulaC24H38O4
Molecular Weight390.56
InChIInChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
InChIKey BJQHLKABXJIVAM-UHFFFAOYSA-N
SmilesC1(C(OCC(CC)CCCC)=O)=CC=CC=C1C(OCC(CC)CCCC)=O
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MassMS2014-05079CW bis(2-ethylhexyl) phthalate C24H38O4 (Mass of molecular ion: 390)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
27.0 1.2 29.0 4.2 39.0 1.1 41.0 9.9 42.0 1.9 43.0 13.5 55.0 8.2 56.0 4.3 57.0 24.1 58.0 1.1 65.0 1.3 69.0 3.7 70.0 15.4 71.0 17.6 72.0 1.0 76.0 2.7 77.0 1.0 82.0 1.0 83.0 5.7 84.0 2.9 93.0 1.4 104.0 5.5 105.0 1.9 112.0 7.4 113.0 10.9 121.0 1.5 122.0 1.6 132.0 2.3 149.0 100.0 150.0 11.1 151.0 1.2 167.0 35.4 168.0 3.1 279.0 14.2 280.0 2.5
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C24 H38 O4 0.04 ml : 0.5 ml CDCl3 bis(2-ethylhexyl) phthalate 
Assign. Shift(ppm)
A 7.70 B 7.52 C 4.218 D 1.63 E 1.49 to 1.27 F 0.92 G 0.90
Hz ppm Int.695.25 7.763 144 692.06 7.728 147 690.25 7.708 123 689.00 7.694 208 686.44 7.665 295 686.00 7.660 316 682.50 7.621 118 680.81 7.602 129 677.38 7.564 305 676.94 7.559 299 674.31 7.530 149 673.06 7.516 127 671.56 7.499 145 668.06 7.460 143 380.94 4.254 592 375.38 4.192 686 133.69 1.493 216 126.25 1.410 325 120.50 1.346 734 119.25 1.332 727 117.88 1.317 704 89.31 0.998 420 82.69 0.924 1000 80.31 0.897 767 75.00 0.838 279
in CDCl3
CCl4 solution
Liquid film
