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all-cis-2,4,6-Trimethylcyclohexanone
SpectraBase Compound ID 5cYccqgAvPG
InChI InChI=1S/C9H16O/c1-6-4-7(2)9(10)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7+,8-
InChIKey CFAIQLSTEVEYCJ-RNLVFQAGSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVTaKXiRMwQ
Name all-cis-2,4,6-Trimethylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-6-4-7(2)9(10)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7+,8-
InChIKey CFAIQLSTEVEYCJ-RNLVFQAGSA-N
Literature Reference DOI 10.1002/cbic.200400110
Molecular Weight 140.226 g/mol
SMILES C1([C@](C[C@](C[C@]1(C)[H])(C)[H])(C)[H])=O
SPLASH splash10-067l-9000000000-9ec3ab5b21eb7d8f3c52
Source of Spectrum CBC-5-1506-2
Synonyms (2R,4r,6S)-2,4,6-trimethylcyclohexan-1-one
Wiley ID 1786513