Diisopropyl adipate(6938-94-9) IR2
Product NameDiisopropyl adipate
CAS6938-94-9
Molecular FormulaC12H22O4
Molecular Weight230.3
InChIInChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey ZDQWESQEGGJUCH-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CCCCC(OC(C)C)=O
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MassMS-NW-1666 diisopropyl adipate C12H22O4 (Mass of molecular ion: 230)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 18.0 2.0 27.0 12.7 28.0 3.5 29.0 4.8 31.0 1.5 39.0 6.6 40.0 1.5 41.0 22.7 42.0 7.4 43.0 52.8 44.0 1.9 45.0 3.9 54.0 1.5 55.0 17.4 56.0 4.7 57.0 1.6 58.0 1.3 59.0 11.0 60.0 9.4 61.0 1.7 68.0 1.0 69.0 3.3 73.0 14.3 74.0 1.4 82.0 1.2 83.0 11.5 84.0 4.5 87.0 18.3 99.0 1.0 100.0 25.1 101.0 18.9 102.0 14.7 103.0 1.8 111.0 22.8 112.0 3.4 128.0 15.7 129.0 100.0 130.0 6.8 142.0 8.1 144.0 2.8 146.0 3.1 147.0 2.0 170.0 2.1 171.0 22.3 172.0 2.4 188.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H22 O4 0.04 ml : 0.5 ml CDCl3 diisopropyl adipate 
Assign. Shift(ppm)
A 5.000 B 2.28 C 1.65 D 1.227
Hz ppm Int.454.38 5.074 55 448.13 5.004 76 441.81 4.934 59 204.75 2.287 82 203.75 2.276 49 199.13 2.224 33 198.13 2.213 39 154.50 1.726 36 150.94 1.686 42 147.38 1.646 88 144.25 1.611 36 143.38 1.601 38 113.00 1.262 1000 106.75 1.192 952
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
