1-METHYLBUTYL ACETATE(626-38-0) Raman
Product Name1-METHYLBUTYL ACETATE
CAS626-38-0
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3
InChIKey GQKZRWSUJHVIPE-UHFFFAOYSA-N
SmilesCC(OC(=O)C)CCC
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MassMS-NW-5718 1-methylbutyl acetate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 27.0 4.7 29.0 3.9 39.0 3.0 41.0 5.3 42.0 6.9 43.0 100.0 44.0 2.7 45.0 5.1 55.0 13.4 58.0 1.4 61.0 3.4 70.0 16.8 71.0 2.9 86.0 1.8 87.0 23.2 88.0 1.1 102.0 1.3 115.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 1-methylbutyl acetate 
Assign. Shift(ppm)
A 4.91 B 2.021 C 1.49 D 1.36 E 1.203 F 0.91
Hz ppm Int.181.00 2.021 1000 134.56 1.503 31 130.88 1.462 47 130.00 1.452 34 129.19 1.443 31 127.88 1.428 41 126.94 1.418 32 126.25 1.410 35 124.25 1.388 33 110.81 1.238 394 104.56 1.168 377 88.25 0.986 42 87.56 0.978 47 87.00 0.972 43 86.00 0.961 37 83.81 0.936 31 81.69 0.913 100 79.94 0.893 47 79.31 0.886 42 77.94 0.871 36
in CDCl3
liquid film
4880 A,200 M,liquid
