Diisobutyl phthalate(84-69-5) 1H NMR
Product NameDiisobutyl phthalate
CAS84-69-5
Molecular FormulaC16H22O4
Molecular Weight278.34
InChIInChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKey MGWAVDBGNNKXQV-UHFFFAOYSA-N
SmilesC1(C(OCC(C)C)=O)=CC=CC=C1C(OCC(C)C)=O
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MassMS2014-05077CW diisobutyl phthalate C16H22O4 (Mass of molecular ion: 278)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 2.1 28.0 9.0 29.0 3.0 32.0 2.3 38.0 1.0 39.0 5.5 40.0 1.3 41.0 13.3 42.0 1.4 43.0 2.7 50.0 3.4 51.0 1.1 55.0 2.7 56.0 8.8 57.0 10.4 65.0 1.8 74.0 1.3 75.0 1.1 76.0 8.6 77.0 1.3 93.0 1.8 104.0 13.7 105.0 2.3 121.0 1.9 122.0 1.0 132.0 1.6 148.0 1.7 149.0 100.0 150.0 9.2 151.0 1.0 167.0 3.5 205.0 2.6 223.0 9.1 224.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H22 O4 0.04 ml : 0.5 ml CDCl3 diisobutyl phthalate 
Assign. Shift(ppm)
A 7.71 B 7.53 C 4.089 D 2.03 E 0.991
Hz ppm Int.696.94 7.782 60 693.69 7.746 71 691.88 7.726 51 690.75 7.713 82 688.13 7.684 124 687.69 7.679 122 684.13 7.639 41 681.25 7.607 41 677.75 7.568 123 677.31 7.563 117 674.69 7.534 62 673.56 7.521 51 671.88 7.503 67 668.50 7.465 60 369.63 4.128 491 363.00 4.054 533 189.63 2.118 42 182.81 2.042 53 176.25 1.968 48 91.69 1.024 1000 88.06 0.984 34 85.06 0.950 789
in CDCl3
Liquid film
4880 A,200 M,liquid
