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Hexanoic acid, 2-ethyl-, ethyl ester
SpectraBase Compound ID I9nCxIvPPqs
InChI InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChIKey YXAGIRHBJJLWHW-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 1rMWi0nMe
Name Hexanoic acid, 2-ethyl-, ethyl ester
CAS Registry Number 2983-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
InChIKey YXAGIRHBJJLWHW-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(=O)(OCC)C(CCCC)CC
SPLASH splash10-0pxu-9500000000-25400b0ce6a9e0475be9
Source of Spectrum OM-1981-672-0
Synonyms 2-Ethylhexanoic acid ethyl ester Ethyl 2-ethylcaproate Ethyl 2-ethylhexanoate AI3-33644 EINECS 221-043-3
Wiley ID 1169001