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7-Oxooctanoic acid
SpectraBase Compound ID KNoo4SNzAl
InChI InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey OSAHCBHKCKPJGI-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnSTXtFXGxP
Name 7-Oxooctanoic acid
CAS Registry Number 14112-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-7(9)5-3-2-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey OSAHCBHKCKPJGI-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(CCCCCC(C)=O)=O
SPLASH splash10-052f-9000000000-5b4b418c5a614e5549a6
Source of Spectrum HE-1986-1927-0
Synonyms 7-ketocaprylic acid 7-Ketooctanoic acid 7-Oxidanylideneoctanoic acid Octanoic acid, 7-oxo- EINECS 237-967-5
Wiley ID 1155139