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trans-3-Methyl-2-phenylcyclohexan-1-one
SpectraBase Compound ID 77Lc1VP1EbQ
InChI InChI=1S/C13H16O/c1-10-6-5-9-12(14)13(10)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3/t10-,13-/m1/s1
InChIKey YBBSHJITIKEYPR-ZWNOBZJWSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kZkuxjvEnq
Name trans-3-Methyl-2-phenylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-10-6-5-9-12(14)13(10)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3/t10-,13-/m1/s1
InChIKey YBBSHJITIKEYPR-ZWNOBZJWSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 188.270 g/mol
SMILES C1([C@]([C@@](CCC1)(C)[H])(c1ccccc1)[H])=O
SPLASH splash10-0aor-9300000000-350c5b88936474a0c593
Source of Spectrum KD-52-2382/SM19-3w
Synonyms (2R,3R)-3-methyl-2-phenylcyclohexan-1-one
Wiley ID 1803735