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Cyclohexanone, 4-(1,1-dimethylethyl)-2-(4-methoxyphenyl)-, trans-
SpectraBase Compound ID H7C7B5OQ47m
InChI InChI=1S/C17H24O2/c1-17(2,3)13-7-10-16(18)15(11-13)12-5-8-14(19-4)9-6-12/h5-6,8-9,13,15H,7,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKey XOLKUDDEZVSCHE-ZFWWWQNUSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M4OVURzINn
Name Cyclohexanone, 4-(1,1-dimethylethyl)-2-(4-methoxyphenyl)-, trans-
CAS Registry Number 87240-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-17(2,3)13-7-10-16(18)15(11-13)12-5-8-14(19-4)9-6-12/h5-6,8-9,13,15H,7,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKey XOLKUDDEZVSCHE-ZFWWWQNUSA-N
Molecular Weight 260.377 g/mol
SMILES [C@@]1(C[C@@](C(C)(C)C)(CCC1=O)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-11b9-4890000000-d17922c85c5eaaa1acff
Source of Spectrum B-36-793-0
Synonyms (2S,4S)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexanone trans-4-t-butyl-2-(p-methoxyphenyl)cyclohexanone
Wiley ID 1264154