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(1R,3R,4S)-4-Benzyl-1,3-dimethyl-cyclohexane-1,3-diol
SpectraBase Compound ID 25VC17HmNQ1
InChI InChI=1S/C15H22O2/c1-14(16)9-8-13(15(2,17)11-14)10-12-6-4-3-5-7-12/h3-7,13,16-17H,8-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKey XLXYVIPGNFSHJQ-RRFJBIMHSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lljUcFXYX3
Name (1R,3R,4S)-4-Benzyl-1,3-dimethyl-cyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-14(16)9-8-13(15(2,17)11-14)10-12-6-4-3-5-7-12/h3-7,13,16-17H,8-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKey XLXYVIPGNFSHJQ-RRFJBIMHSA-N
Molecular Weight 234.339 g/mol
SMILES O[C@]1(C[C@]([C@@](CC1)(Cc1ccccc1)[H])(O)C)C
SPLASH splash10-00kf-8910000000-67e77ec74f353dc60193
Source of Spectrum J-62-2943-19
Synonyms (1R,3R,4S)-4-benzyl-1,3-dimethylcyclohexane-1,3-diol
Wiley ID 1236500