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Hexanoic acid, 2-ethyl-, hexyl ester
SpectraBase Compound ID 4qPIeK6xvu5
InChI InChI=1S/C14H28O2/c1-4-7-9-10-12-16-14(15)13(6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKey HGJAQCVKJLUCKW-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CL9JqPC8u6
Name Hexanoic acid, 2-ethyl-, hexyl ester
CAS Registry Number 20748-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-7-9-10-12-16-14(15)13(6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKey HGJAQCVKJLUCKW-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES CCCCC(C(=O)OCCCCCC)CC
SPLASH splash10-054o-9100000000-63651dda1271ebb2cfef
Source of Spectrum NW-2019-0-0
Synonyms 2-Ethylhexanoic acid hexyl ester 2-Ethylhexanoic acid,n-hexyl ester Hexyl 2-ethylhexanoate AI3-23183 EINECS 244-006-3 NSC 8254
Wiley ID 1230065