Methyl isobutyrate(547-63-7) 13C NMR
Product NameMethyl isobutyrate
CAS547-63-7
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey BHIWKHZACMWKOJ-UHFFFAOYSA-N
SmilesC(OC)(=O)C(C)C
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MassMS-NW-0010 methyl isobutyrate C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 12.2 17.0 1.0 18.0 4.5 26.0 1.8 27.0 16.1 28.0 2.7 29.0 1.9 31.0 1.9 33.0 1.4 38.0 1.1 39.0 8.6 40.0 1.7 41.0 30.0 42.0 13.5 43.0 100.0 44.0 3.5 45.0 1.4 55.0 5.8 59.0 23.1 60.0 1.0 61.0 4.8 70.0 1.2 71.0 42.0 72.0 2.1 74.0 5.1 87.0 22.3 88.0 1.0 102.0 16.3 103.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C5 H10 O2 0.04 ml : 0.5 ml CDCl3 methyl isobutyrate 
Parameter ppm Hz
D(A) 3.669 D(B) 2.557 D(C) 1.170 J(B,C) 6.94
Hz ppm Int.1100.69 3.669 1000 781.12 2.604 28 774.20 2.581 68 767.23 2.557 92 760.31 2.534 72 753.36 2.511 31 354.46 1.182 994 347.52 1.158 957
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
