DIMETHYL PIMELATE(1732-08-7) 13C NMR
Product NameDIMETHYL PIMELATE
CAS1732-08-7
Molecular FormulaC9H16O4
Molecular Weight188.22
InChIInChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey SHWINQXIGSEZAP-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCC(OC)=O
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MassMS2015-05174CW dimethyl pimelate C9H16O4 (Mass of molecular ion: 188)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 8.3 27.0 7.0 29.0 5.0 39.0 10.2 40.0 2.4 41.0 23.2 42.0 8.8 43.0 19.4 45.0 5.2 48.0 3.7 49.0 3.9 53.0 3.5 54.0 3.2 55.0 36.2 56.0 2.8 57.0 3.2 59.0 34.9 67.0 4.3 68.0 15.9 69.0 45.8 70.0 3.6 71.0 2.6 73.0 24.7 74.0 58.5 75.0 2.6 79.0 2.1 81.0 2.4 82.0 2.8 83.0 35.3 84.0 2.3 85.0 4.4 87.0 19.6 88.0 3.3 96.0 10.9 97.0 30.8 98.0 3.0 100.0 15.3 101.0 5.5 111.0 20.9 113.0 5.2 114.0 7.2 115.0 100.0 116.0 6.7 124.0 27.0 125.0 49.0 126.0 4.1 127.0 2.7 128.0 44.9 129.0 9.1 139.0 2.2 156.0 11.3 157.0 58.5 158.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O4 0.04 ml : 0.5 ml CDCl3 dimethyl pimelate 
Assign. Shift(ppm)
A 3.670 B 2.321 C 1.651 D 1.361
Hz ppm Int.1466.92 3.671 1000 935.18 2.340 148 927.73 2.322 224 920.17 2.303 154 673.95 1.687 44 668.21 1.672 34 666.38 1.668 105 664.06 1.662 34 660.77 1.654 45 658.57 1.648 118 656.25 1.643 36 653.20 1.635 30 650.88 1.629 87 643.43 1.610 45 550.54 1.378 40 543.09 1.359 60
in CDCl3
liquid film
4880 A,200 M,liquid
