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4-methylvaleric acid, ethyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 4 MS (GC)

4-methylvaleric acid, ethyl ester
SpectraBase Compound ID BBQTj2hCVRD
InChI InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey OFQRUTMGVBMTFQ-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqD5asRp1Sn
Name Pentanoic acid, 4-methyl-, ethyl ester
Alternate Name(s) Valeric acid, 4-methyl-, ethyl ester 4-Methylpentanoic acid ethyl ester Ethyl isocaproate 4-Methylvaleric acid ethyl ester Ethyl 4-methylpentanoate Ethyl 4-methylvalerate Ethyl isohexanoate Ethyl iso-hexanoate AI3-33648 EINECS 246-955-9
CAS Registry Number 25415-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey OFQRUTMGVBMTFQ-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
SMILES CCOC(=O)CCC(C)C
SPLASH splash10-0f7x-9100000000-c8667190c475bd40e843
Source of Spectrum AA-0-793-3
Wiley ID 8658