ISOPROPYL BUTYRATE(638-11-9) Raman
Product NameISOPROPYL BUTYRATE
CAS638-11-9
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKey FFOPEPMHKILNIT-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CCC
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MassMS2015-05128CW isopropyl butyrate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 1.4 26.0 1.5 27.0 13.2 29.0 1.5 31.0 1.0 32.0 5.0 37.0 1.7 38.0 3.0 39.0 16.1 40.0 4.2 41.0 35.2 42.0 14.4 43.0 90.4 44.0 3.4 45.0 2.9 55.0 2.1 59.0 15.3 60.0 17.8 71.0 100.0 72.0 4.9 73.0 11.9 88.0 18.7 89.0 45.2 90.0 2.3 102.0 5.2 115.0 13.4
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 isopropyl butyrate 
Assign. Shift(ppm)
A 5.011 B 2.238 C 1.645 D 1.229 E 0.951
Hz ppm Int.455.06 5.082 53 448.75 5.011 71 442.50 4.941 56 209.19 2.336 53 208.00 2.323 61 201.56 2.251 99 201.06 2.245 116 194.44 2.172 94 193.69 2.163 105 158.19 1.767 34 151.25 1.689 72 150.13 1.677 39 144.25 1.611 50 143.44 1.602 46 142.94 1.597 59 136.38 1.523 43 135.81 1.517 33 113.19 1.264 1000 111.00 1.240 30 106.88 1.194 951 92.19 1.030 73 91.44 1.021 138 84.56 0.945 283 83.94 0.938 148 77.88 0.870 47 76.94 0.860 81 75.94 0.848 42
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
