Cyclohexanecarboxylic acid

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Systematic / IUPAC Name: Cyclohexanecarboxylic acid

ID: Reference2728

Other Names: Benzoic acid, hexahydro-;
Hexahydrobenzoic acid;
1-Cyclohexanecarboxylic acid;
Carboxycyclohexane;
Cyclohexanoic acid ; more

Formula: C7H12O2

Class: Extractables/Leachables Industrial Chemicals Excipients/Additives/Colorants

Spectral Data

Cyclohexanecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 197
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/2/2015 2:09:23 PM
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Identificators

InChI InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChI Key NZNMSOFKMUBTKW-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)C(=O)O
CAS 98895
Splash
Other Names Benzoic acid, hexahydro-;
Hexahydrobenzoic acid;
1-Cyclohexanecarboxylic acid;
Carboxycyclohexane;
Cyclohexanoic acid;
Cyclohexylcarboxylic acid;
Cyclohexylformic acid;
Cyclohexylmethanoic acid

In Other Databases

ChemSpider 7135
ChemIDPlus 000098895; 000136016; 002669354; 007549420; 003198230; 025666608
KEGG C09822
Wikipedia Cyclohexanecarboxylic acids
ChEBI CHEBI:36096
PubChem 7413
HMDb HMDB31342