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2-Acetyl-2,5-dimethylcyclohexanone (stereoisomer I)
SpectraBase Compound ID KsLCfXvt3uz
InChI InChI=1S/C10H16O2/c1-7-4-5-10(3,8(2)11)9(12)6-7/h7H,4-6H2,1-3H3
InChIKey OKXRNXXZXIZRPC-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnxFcYRqKNz
Name 2-Acetyl-2,5-dimethylcyclohexanone (stereoisomer I)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-4-5-10(3,8(2)11)9(12)6-7/h7H,4-6H2,1-3H3
InChIKey OKXRNXXZXIZRPC-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C1(C(CC(CC1)C)=O)(C(=O)C)C
SPLASH splash10-004i-9700000000-30a95113ee44c4e1d10b
Source of Spectrum LQ-1992-4499-0
Synonyms 2-Acetyl-2,5-dimethylcyclohexanone
Wiley ID 1164795