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(5S,6S)-5,6-dimethylcyclohex-3-en-1-one
SpectraBase Compound ID BCCuTa76Aj3
InChI InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1
InChIKey DGYVSJGIURKCTH-BQBZGAKWSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA0CtdqA2qK
Name (5S,6S)-5,6-dimethyl-1-cyclohex-3-enone
Alternate Name(s) (5S,6S)-5,6-dimethylcyclohex-3-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1
InChIKey DGYVSJGIURKCTH-BQBZGAKWSA-N
Molecular Weight 124.183 g/mol
SMILES C1([C@]([C@@](C)(C=CC1)[H])(C)[H])=O
SPLASH splash10-014i-9200000000-c5b431cd006b770191d5
Source of Spectrum K1-2001-3833-7
Wiley ID 813463