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Hexanoic acid, 4-octyl ester

View entire compound with spectra: 2 MS (GC)

Hexanoic acid, 4-octyl ester
SpectraBase Compound ID CTXcasXqx2T
InChI InChI=1S/C14H28O2/c1-4-7-9-12-14(15)16-13(10-6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKey WIFDYGVLPJUPQQ-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 HNpvxoRnmpu
Name Hexanoic acid, 4-octyl ester
Alternate Name(s) 1-Propylpentyl hexanoate Hexanoic acid 1-propylpentyl ester Hexanoic acid octan-4-yl ester Octan-4-yl hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-7-9-12-14(15)16-13(10-6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKey WIFDYGVLPJUPQQ-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES CCCCCC(=O)OC(CCCC)CCC
SPLASH splash10-0007-9000000000-bcb379a9ea18d54924e8
Wiley ID 1494673