ISOBUTYRIC ACID ISOPROPYL ESTER(617-50-5) MS
Product NameISOBUTYRIC ACID ISOPROPYL ESTER
CAS617-50-5
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
InChIKey WVRPFQGZHKZCEB-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)C(C)C
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MassMS-NW-0765 isopropyl isobutyrate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 27.0 6.0 39.0 3.3 41.0 11.7 42.0 4.4 43.0 100.0 44.0 3.3 45.0 6.2 59.0 6.1 71.0 36.8 72.0 1.0 73.0 2.2 88.0 2.9 89.0 18.2 115.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 isopropyl isobutyrate 
Assign. Shift(ppm)
A 4.991 B 2.488 C 1.22 D 1.15
Hz ppm Int.453.19 5.061 38 446.94 4.991 51 440.63 4.920 39 229.69 2.565 27 222.94 2.490 36 215.75 2.410 32 112.63 1.258 726 110.38 1.233 28 108.50 1.212 28 106.38 1.188 1000 99.19 1.108 447
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
