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Methyl 3-methylbutanoate

View entire compound with spectra: 17 NMR, 10 FTIR, 1 Raman, 24 MS (GC), and 4 Near IR

Methyl 3-methylbutanoate
SpectraBase Compound ID 82YX1FeP3fm
InChI InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey OQAGVSWESNCJJT-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42H3rGZX10i
Name Methyl isovalerate
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 114-116C
CAS Registry Number 556-24-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKey OQAGVSWESNCJJT-UHFFFAOYSA-N
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms Methyl Isopentanoate Methyl-3-methylbutyrate Methyl-3-methylbutanoate Isovaleric acid, methyl ester 3-Methylbutanoic acid, methyl ester