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3-(4-Oxocyclohexyl)propanoic acid
SpectraBase Compound ID 1jZSM6W6bKe
InChI InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey QKUBCBWCNZAGJK-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9REX7MRd8Im
Name 3-(4-Oxocyclohexyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey QKUBCBWCNZAGJK-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES OC(CCC1CCC(CC1)=O)=O
SPLASH splash10-0592-9300000000-9f14115387eb9e313115
Source of Spectrum F-51-10273-27
Synonyms 3-(4-ketocyclohexyl)propionic acid 3-(4-oxidanylidenecyclohexyl)propanoic acid
Wiley ID 793562