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2-Oxocyclohexaneacetic acid
SpectraBase Compound ID LHJjqYxqxAK
InChI InChI=1S/C8H12O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6H,1-5H2,(H,10,11)
InChIKey QRUYAODUCVMGQQ-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89d5VQ9RMNi
Name 2-(2-Oxocyclohexyl)acetic acid
Alternate Name(s) 2-(2-oxidanylidenecyclohexyl)ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6H,1-5H2,(H,10,11)
InChIKey QRUYAODUCVMGQQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800691
Molecular Weight 156.181 g/mol
SMILES OC(CC1C(CCCC1)=O)=O
SPLASH splash10-0a4r-9400000000-be650b2fbc62b46e8151
Source of Spectrum ASC-351-1073/SM5-7c
Wiley ID 1763711