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(1S,3R)-3-(2-hydroxyethyl)-5-keto-cyclohexanecarboxylic acid
SpectraBase Compound ID 14LgCOdYUMD
InChI InChI=1S/C9H14O4/c10-2-1-6-3-7(9(12)13)5-8(11)4-6/h6-7,10H,1-5H2,(H,12,13)/t6-,7-/m0/s1
InChIKey CSTYXUJWSOQYHF-BQBZGAKWSA-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 IyWgNIbIq1a
Name (1S,3R)-3-(2-hydroxyethyl)-5-keto-cyclohexanecarboxylic acid
Alternate Name(s) (1S,3R)-3-(2-hydroxyethyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid (1S,3R)-3-(2-hydroxyethyl)-5-oxo-1-cyclohexanecarboxylic acid (1S,3R)-3-(2-hydroxyethyl)-5-oxo-cyclohexanecarboxylic acid (1S,3R)-3-(2-hydroxyethyl)-5-oxocyclohexane-1-carboxylic acid
CAS Registry Number 123559-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c10-2-1-6-3-7(9(12)13)5-8(11)4-6/h6-7,10H,1-5H2,(H,12,13)/t6-,7-/m0/s1
InChIKey CSTYXUJWSOQYHF-BQBZGAKWSA-N
Molecular Weight 186.207 g/mol
SMILES OC([C@]1(C[C@](CCO)(CC(C1)=O)[H])[H])=O
SPLASH splash10-0006-9600000000-3af94415ca41a668264a
Source of Spectrum F-45-1407-28
Wiley ID 1182527