Dimethyl suberate(1732-09-8) IR1
Product NameDimethyl suberate
CAS1732-09-8
Molecular FormulaC10H18O4
Molecular Weight202.25
InChIInChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
InChIKey LNLCRJXCNQABMV-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCCCCC(OC)=O
-
MassMS-NW-7598 dimethyl suberate C10H18O4 (Mass of molecular ion: 202)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.0 15.0 26.4 18.0 3.0 26.0 2.0 27.0 17.5 28.0 7.3 29.0 14.2 30.0 1.8 31.0 9.8 32.0 4.4 38.0 1.2 39.0 17.0 40.0 4.6 41.0 48.9 42.0 9.1 43.0 43.6 44.0 5.1 45.0 8.4 50.0 1.2 51.0 2.1 52.0 1.3 53.0 6.1 54.0 6.5 55.0 53.8 55.5 1.2 56.0 9.4 56.5 1.0 57.0 4.9 58.0 1.1 58.5 5.2 59.0 39.0 60.0 1.7 65.0 2.1 66.0 2.1 67.0 10.9 68.0 17.5 69.0 86.8 70.0 6.9 71.0 2.2 72.0 2.5 73.0 7.6 74.0 100.0 75.0 5.2 77.0 2.7 78.0 2.1 79.0 5.2 80.0 1.2 81.0 5.9 82.0 10.6 83.0 39.7 84.0 10.0 85.0 4.5 87.0 34.2 88.0 4.7 91.0 4.0 92.0 2.0 93.0 3.4 94.0 2.3 95.0 1.9 96.0 4.7 97.0 74.8 98.0 5.9 99.0 2.5 100.0 1.6 101.0 8.9 102.0 1.0 109.0 2.3 110.0 20.5 111.0 27.5 112.0 3.2 113.0 4.3 114.0 13.0 115.0 3.7 116.0 2.2 120.0 1.5 121.0 1.2 125.0 1.0 127.0 4.0 128.0 4.6 129.0 93.6 130.0 7.7 137.0 2.4 138.0 81.3 139.0 20.6 140.0 2.0 142.0 12.5 143.0 3.6 170.0 3.8 171.0 57.4 172.0 6.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H18 O4 0.05 ml : 0.5 ml CDCl3 dimethyl suberate 
Assign. Shift(ppm)
A 3.653 B 2.284 C 1.64 D 1.39
Hz ppm Int.327.25 3.654 1000 213.38 2.383 51 212.44 2.373 53 205.81 2.299 138 198.69 2.219 105 153.44 1.714 41 152.25 1.700 39 152.13 1.699 39 146.13 1.632 54 140.56 1.570 47 139.38 1.557 41 137.56 1.536 43 132.75 1.483 38 132.63 1.481 38 125.94 1.407 77 123.38 1.378 67 122.31 1.366 59 120.50 1.346 66 117.81 1.316 44 115.88 1.294 38
in CDCl3
liquid film
