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Hexanoic acid, 2-methylbutyl ester
SpectraBase Compound ID J4tNhRM7xy8
InChI InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey ZWMQVDONBUJJLL-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba2PunbBZLG
Name Hexanoic acid, 2-methylbutyl ester
CAS Registry Number 2601-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
InChIKey ZWMQVDONBUJJLL-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES CC(COC(CCCCC)=O)CC
SPLASH splash10-00dm-9000000000-2de1fbc59b578bb7d25b
Source of Spectrum LQ-1992-1726-0
Synonyms 2-Methylbutyl hexanoate 2-Methylbutyl caproate AI3-33716 EINECS 220-005-3
Wiley ID 1183098