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(S)-3-Methylcyclohexanone
SpectraBase Compound ID 8cLYLIkWpuK
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey UJBOOUHRTQVGRU-LURJTMIESA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIBJnEVPcvm
Name (S)-3-Methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey UJBOOUHRTQVGRU-LURJTMIESA-N
Literature Reference DOI 10.1002/cbic.201600202
Molecular Weight 112.172 g/mol
SMILES C1(C[C@](CCC1)(C)[H])=O
SPLASH splash10-02t9-9300000000-de68afe34827d2e5f55e
Source of Spectrum CBC-17-1207/SM3-(S)_2
Synonyms (S)-3-methylcyclohexan-1-one
Wiley ID 1807997