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(3S,4S)-3-methyl-4-oxidanyl-cyclohexan-1-one
SpectraBase Compound ID 1qQGGLTqyNM
InChI InChI=1S/C7H12O2/c1-5-4-6(8)2-3-7(5)9/h5,7,9H,2-4H2,1H3/t5-,7-/m0/s1
InChIKey BSSXPZSFKIABFR-FSPLSTOPSA-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 HHfPse9DmlZ
Name (3S,4S)-3-methyl-4-oxidanyl-cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-5-4-6(8)2-3-7(5)9/h5,7,9H,2-4H2,1H3/t5-,7-/m0/s1
InChIKey BSSXPZSFKIABFR-FSPLSTOPSA-N
Molecular Weight 128.171 g/mol
SMILES O[C@@]1([C@](CC(CC1)=O)(C)[H])[H]
SPLASH splash10-00or-5900000000-96da6046643c92a02f1e
Source of Spectrum KC-57-8154-0
Synonyms (3S,4S)-4-hydroxy-3-methyl-1-cyclohexanone (3S,4S)-4-hydroxy-3-methylcyclohexan-1-one
Wiley ID 1625909