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2-(Carboxymethyl)cyclohexanecarboxylic acid
SpectraBase Compound ID BEHxYkPXzRX
InChI InChI=1S/C9H14O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)
InChIKey GCGCKIUIBPEAQE-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1I0gR3oliok
Name 2-(Carboxymethyl)cyclohexanecarboxylic acid
Alternate Name(s) (cis-2-Carboxycyclohexyl)acetic acid (trans-2-Carboxycyclohexyl)acetic acid 2-(carboxymethyl)-1-cyclohexanecarboxylic acid 2-(carboxymethyl)cyclohexane-1-carboxylic acid
CAS Registry Number 118139-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)
InChIKey GCGCKIUIBPEAQE-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES OC(C1CCCCC1CC(O)=O)=O
SPLASH splash10-00lr-9400000000-3e90b14b64eec689194b
Source of Spectrum NP-3-3045-0
Wiley ID 1102475