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trans-3-Butyl-2-(4-(tert-butyl)phenyl)cyclohexan-1-one
SpectraBase Compound ID L0ZlxhXMUd6
InChI InChI=1S/C20H30O/c1-5-6-8-15-9-7-10-18(21)19(15)16-11-13-17(14-12-16)20(2,3)4/h11-15,19H,5-10H2,1-4H3/t15-,19-/m1/s1
InChIKey WSEVRYHRPYFVBM-DNVCBOLYSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rKUBiY8RAy
Name trans-3-Butyl-2-(4-(tert-butyl)phenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-5-6-8-15-9-7-10-18(21)19(15)16-11-13-17(14-12-16)20(2,3)4/h11-15,19H,5-10H2,1-4H3/t15-,19-/m1/s1
InChIKey WSEVRYHRPYFVBM-DNVCBOLYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 286.459 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)C(C)(C)C)[H])=O
SPLASH splash10-0a4l-9750000000-2349f6fa4b1d4771cd89
Source of Spectrum KD-52-2382/SM10-3g
Synonyms (2R,3R)-3-butyl-2-(4-(tert-butyl)phenyl)cyclohexan-1-one
Wiley ID 1803720