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trans-3-Butyl-2-(2,4-dimethylphenyl)cyclohexan-1-one
SpectraBase Compound ID F12A7UGhGFL
InChI InChI=1S/C18H26O/c1-4-5-7-15-8-6-9-17(19)18(15)16-11-10-13(2)12-14(16)3/h10-12,15,18H,4-9H2,1-3H3/t15-,18-/m1/s1
InChIKey BQGVNSPIQFSMLP-CRAIPNDOSA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jNZJb0Atty
Name trans-3-Butyl-2-(2,4-dimethylphenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O
InChI InChI=1S/C18H26O/c1-4-5-7-15-8-6-9-17(19)18(15)16-11-10-13(2)12-14(16)3/h10-12,15,18H,4-9H2,1-3H3/t15-,18-/m1/s1
InChIKey BQGVNSPIQFSMLP-CRAIPNDOSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 258.405 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1c(cc(cc1)C)C)[H])=O
SPLASH splash10-0aou-4910000000-7f0410c61f4173197b69
Source of Spectrum KD-52-2382/SM14-3m
Synonyms (2R,3R)-3-butyl-2-(2,4-dimethylphenyl)cyclohexan-1-one
Wiley ID 1803725