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Hexanoic acid isobutyl ester
SpectraBase Compound ID 6rV34nbm0ks
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9fQ06SpuRE
Name Hexanoic acid, 2-methylpropyl ester
CAS Registry Number 105-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(CCC(=O)OCC(C)C)CC
SPLASH splash10-0a4j-9000000000-dbbeaa01fe3a5f3b8fd7
Source of Spectrum LQ-1992-1233-0
Synonyms Hexanoic acid, isobutyl ester 2-Methyl-1-propyl caproate 2-Methylpropyl hexanoate Hexanoic acid isobutyl ester iso-Butyl n-hexanoate n-Caproic acid isobutyl ester Hexanoic acid 2-methylpropyl ester Isobutyl hexanoate AI3-24254 EINECS 203-332-6 FEMA NO. 2202
Wiley ID 1169016