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trans-3-(tert-Butyl)-2-phenylcyclohexan-1-one
SpectraBase Compound ID DraXy2EvCr2
InChI InChI=1S/C16H22O/c1-16(2,3)13-10-7-11-14(17)15(13)12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3/t13-,15+/m1/s1
InChIKey CPTUXZXQGICALN-HIFRSBDPSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PDAEs8dqaU
Name trans-3-(tert-Butyl)-2-phenylcyclohexan-1-one
Alternate Name(s) (2R,3R)-3-(tert-butyl)-2-phenylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-16(2,3)13-10-7-11-14(17)15(13)12-8-5-4-6-9-12/h4-6,8-9,13,15H,7,10-11H2,1-3H3/t13-,15+/m1/s1
InChIKey CPTUXZXQGICALN-HIFRSBDPSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 230.351 g/mol
SMILES C1([C@]([C@@](CCC1)(C(C)(C)C)[H])(c1ccccc1)[H])=O
SPLASH splash10-052f-9520000000-fd83da5cc4682bb89872
Source of Spectrum KD-52-2382/SM22-3ab
Wiley ID 1803709