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Hexanoic acid, 2-ethyl-, methyl ester
SpectraBase Compound ID Lq3EWyGAV4c
InChI InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zWYBG9mMK
Name Hexanoic acid, 2-ethyl-, methyl ester
CAS Registry Number 816-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCC(CCCC)C(OC)=O
SPLASH splash10-0pdu-9300000000-fd619641469ec3c2e5e8
Source of Spectrum HE-1982-0-0
Synonyms Methyl ester of 2-ethylhexanoic acid Methyl 2-ethylhexanoate AI3-33653 EINECS 212-429-2
Wiley ID 1155389