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3-Heptyl hexanoate
SpectraBase Compound ID HYMxx8vXVUA
InChI InChI=1S/C13H26O2/c1-4-7-9-11-13(14)15-12(6-3)10-8-5-2/h12H,4-11H2,1-3H3
InChIKey KDHWURFMXQEFPK-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXNblJXK3TR
Name 1-Ethylpentyl hexanoate
CAS Registry Number 5421-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-7-9-11-13(14)15-12(6-3)10-8-5-2/h12H,4-11H2,1-3H3
InChIKey KDHWURFMXQEFPK-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES CCC(OC(CCCCC)=O)CCCC
SPLASH splash10-00di-9000000000-8fe2005b90d918e17e97
Source of Spectrum W5-1989-34456-31080
Synonyms Heptan-3-yl hexanoate Hexanoic acid 1-ethylpentyl ester Hexanoic acid heptan-3-yl ester
Wiley ID 1213891