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heptanoic acid, hexyl ester
SpectraBase Compound ID CUbs2Zqxkym
InChI InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey IFOGOHVJHKKYCT-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 KRgrVh7WWSr
Name Hexyl heptanoate
Alternate Name(s) enanthic acid hexyl ester Heptanoic acid hexyl ester
CAS Registry Number 1119-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey IFOGOHVJHKKYCT-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES C(OCCCCCC)(=O)CCCCCC
SPLASH splash10-0006-9000000000-06ae9473bbba7df8ef3f
Source of Spectrum AJ-56-2031-0
Wiley ID 1213908