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2-Propyl-5-oxohexanoic acid
SpectraBase Compound ID AZs7z3tf9W7
InChI InChI=1S/C9H16O3/c1-3-4-8(9(11)12)6-5-7(2)10/h8H,3-6H2,1-2H3,(H,11,12)
InChIKey WHJQRBCIFNCODR-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1HZU4OB59M
Name 2-Propyl-5-oxohexanoic acid
Alternate Name(s) 5-keto-2-propyl-hexanoic acid 5-Oxidanylidene-2-propyl-hexanoic acid 5-Oxo-2-propyl-hexanoic acid
CAS Registry Number 10297-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-8(9(11)12)6-5-7(2)10/h8H,3-6H2,1-2H3,(H,11,12)
InChIKey WHJQRBCIFNCODR-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES OC(C(CCC)CCC(=O)C)=O
SPLASH splash10-0a4l-9200000000-376133df13ffd98c786e
Source of Spectrum PR-2-0-0
Wiley ID 1168793