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4-methylvaleric acid, methyl ester
SpectraBase Compound ID DM6oVdON5Zb
InChI InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7fuGQY5MYC
Name Pentanoic acid, 4-methyl-, methyl ester
Alternate Name(s) 4-Methylpentanoic acid methyl ester 4-Methylvaleric acid methyl ester Methyl 4-methylpentanoate Methyl 4-methylvalerate Methyl isocaproate Methyl isobutylacetate Methyl isohexanoate Valeric acid, 4-methyl-, methyl ester EINECS 219-320-9 FEMA NO. 2721
CAS Registry Number 2412-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES C(=O)(CCC(C)C)OC
SPLASH splash10-05g3-9000000000-6869f814dc6afa9597ee
Source of Spectrum EP-8007-0-0
Wiley ID 1132680