Dimethyl adipate(627-93-0) MS
Product NameDimethyl adipate
CAS627-93-0
Molecular FormulaC8H14O4
Molecular Weight174.19
InChIInChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChIKey UDSFAEKRVUSQDD-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCC(OC)=O
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MassMS-IW-8018 dimethyl adipate C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 21.1 18.0 2.7 26.0 2.4 27.0 13.8 28.0 11.8 29.0 13.9 30.0 1.1 31.0 6.9 32.0 2.2 39.0 12.2 40.0 2.1 41.0 25.9 42.0 15.4 43.0 32.8 44.0 4.2 45.0 6.8 51.0 1.4 53.0 5.1 54.0 11.0 55.0 77.4 56.0 10.2 57.0 5.3 58.0 2.2 59.0 100.0 60.0 3.5 66.0 1.3 67.0 1.2 68.0 5.3 69.0 10.6 71.0 5.0 72.0 9.8 73.0 34.9 74.0 51.0 75.0 2.3 81.0 1.9 82.0 16.9 83.0 33.4 84.0 4.1 85.0 1.3 86.0 1.6 87.0 17.2 88.0 4.0 97.0 6.9 98.0 1.1 99.0 3.2 100.0 5.0 101.0 81.6 102.0 4.8 110.0 6.2 111.0 87.0 112.0 6.1 113.0 2.9 114.0 98.3 115.0 24.4 116.0 1.9 125.0 1.0 129.0 1.6 142.0 17.1 143.0 74.8 144.0 5.8 175.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O4 0.04 ml : 0.5 ml CDCl3 dimethyl adipate 
Assign. Shift(ppm)
A 3.688 B 2.32 C 1.66
Hz ppm Int.328.56 3.669 1000 216.06 2.413 31 215.31 2.405 29 215.13 2.403 29 214.88 2.400 29 213.94 2.389 29 212.00 2.368 37 209.56 2.340 104 205.56 2.296 41 202.81 2.265 53 155.88 1.741 46 154.94 1.731 31 152.25 1.700 56 148.88 1.663 116 145.63 1.627 53 144.88 1.618 54 143.25 1.600 27 141.88 1.585 34
in CDCl3
liquid film
4880 A,200 M,liquid
