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Cyclohexane-carboxylic Acid
SpectraBase Compound ID KdbMGQy4SYg
InChI InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UpPQlhXQUN
Name Cyclohexane-carboxylic Acid
CAS Registry Number 98-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES OC(=O)C1CCCCC1
SPLASH splash10-0a4l-9100000000-4df0d102715836fb0207
Source of Spectrum WS-1986-100-0
Synonyms Cyclohexanecarboxylic acid Benzoic acid, hexahydro- Carboxycyclohexane Cyclohexane-1-carboxylate Cyclohexanoic acid Cyclohexylcarboxylic acid Cyclohexylformic acid Cyclohexylmethanoic acid Hexahydrobenzoic acid AI3-01854 BRN 0970529 EINECS 202-711-3 EPA PESTICIDE CHEMICAL CODE 112603 FEMA NO. 3531 NSC 452
Wiley ID 1131319