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(1R,2R)-2-methyl-5-oxo-1-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID BDPtm2AbAVQ
InChI InChI=1S/C10H16O3/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey NFYIJYQWAIPFAL-VXNVDRBHSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35zhBpTgKap
Name (1R,2R)-2-methyl-5-oxo-1-cyclohexanecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey NFYIJYQWAIPFAL-VXNVDRBHSA-N
Molecular Weight 184.235 g/mol
SMILES [C@]1(C(=O)OCC)(CC(=O)CC[C@]1(C)[H])[H]
SPLASH splash10-08fr-4900000000-9aee1f5586edc777fb27
Source of Spectrum F-56-3289-11
Synonyms (1R,2R)-5-keto-2-methyl-cyclohexanecarboxylic acid ethyl ester Ethyl (1R,2R)-2-methyl-5-oxidanylidene-cyclohexane-1-carboxylate Ethyl (1R,2R)-2-methyl-5-oxo-cyclohexanecarboxylate Ethyl (1R,2R)-2-methyl-5-oxocyclohexane-1-carboxylate
Wiley ID 856882