Dibutyl phthalate (84-74-2) MS
Product NameDibutyl phthalate
CAS84-74-2
Molecular FormulaC16H22O4
Molecular Weight278.34
InChIInChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey DOIRQSBPFJWKBE-UHFFFAOYSA-N
SmilesC1(C(OCCCC)=O)=CC=CC=C1C(OCCCC)=O
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MassMS-NW-5507 dibutyl phthalate C16H22O4 (Mass of molecular ion: 278)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.3 29.0 9.1 39.0 1.9 41.0 7.9 50.0 1.4 55.0 1.4 56.0 5.3 57.0 5.9 65.0 2.6 76.0 3.6 77.0 1.0 93.0 2.1 104.0 3.7 105.0 2.2 121.0 1.9 122.0 1.5 149.0 100.0 150.0 9.3 151.0 1.0 205.0 4.4 223.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H22 O4 0.04 ml : 0.5 ml CDCl3 dibutyl phthalate 
Assign. Shift(ppm)
A 7.70 B 7.53 C 4.303 D 1.70 E 1.44 F 0.97 J(C,D)=6.5HZ.
Hz ppm Int.695.88 7.770 187 692.63 7.734 220 690.81 7.714 168 689.63 7.701 260 687.00 7.671 393 686.56 7.666 404 683.06 7.627 133 680.38 7.597 134 676.81 7.558 385 676.44 7.553 369 673.81 7.524 191 672.63 7.511 164 670.94 7.492 211 667.56 7.454 188 392.38 4.382 369 385.88 4.309 1000 379.38 4.237 517 169.44 1.892 34 167.75 1.874 46 162.75 1.818 82 161.31 1.802 120 159.00 1.776 72 158.56 1.771 68 156.88 1.752 70 154.63 1.727 244 152.56 1.704 140 148.44 1.658 218 147.44 1.647 219 145.75 1.628 153 144.06 1.609 98 141.88 1.585 138 140.56 1.570 134 139.38 1.557 160 138.63 1.548 171 137.06 1.531 46 136.75 1.527 45 135.75 1.516 52 134.50 1.502 122 132.88 1.484 184 131.25 1.466 199 129.81 1.450 60 129.69 1.449 60 128.56 1.436 73 127.25 1.421 158 126.63 1.414 120 124.44 1.390 180 123.06 1.375 93 122.13 1.364 63 120.81 1.349 69 117.81 1.316 168 116.75 1.304 94 111.31 1.243 75 93.38 1.043 274 92.38 1.032 467 91.81 1.026 441 88.50 0.989 46 87.94 0.982 41 85.88 0.959 982 84.56 0.945 344 79.50 0.888 146 78.38 0.876 211 76.63 0.856 109
in CDCl3
CCl4 solution
Liquid film
