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3-(2-keto-1-cyclohex-3-enyl)propionic acid
SpectraBase Compound ID 8PE5OWCG4zE
InChI InChI=1S/C9H12O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h2,4,7H,1,3,5-6H2,(H,11,12)
InChIKey ZNWFDQPWVYESRR-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRx3cPzi1Fz
Name 3-(2-Oxo-3-cyclohexen-1-yl)propanoic acid
CAS Registry Number 120317-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h2,4,7H,1,3,5-6H2,(H,11,12)
InChIKey ZNWFDQPWVYESRR-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES OC(CCC1C(=O)C=CCC1)=O
SPLASH splash10-014i-9100000000-b30a3a1be211ec78d1d3
Source of Spectrum NP-2-3400-0
Synonyms Propanoic acid, 3-(2-oxo-3-cyclohexen-1-yl)- 3-(2-oxo-1-cyclohex-3-enyl)propanoic acid 3-(2-oxocyclohex-3-en-1-yl)propanoic acid 3-(2-oxidanylidenecyclohex-3-en-1-yl)propanoic acid
Wiley ID 1100808