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meso-1,6-Bis(.alpha.-hydroxy-.alpha,1.-dimethylbenzyl)cyclohepta-1,3,5-triene
SpectraBase Compound ID 2oEpOzr7g3W
InChI InChI=1S/C25H28O2/c1-18-9-13-20(14-10-18)24(3,26)22-7-5-6-8-23(17-22)25(4,27)21-15-11-19(2)12-16-21/h5-16,26-27H,17H2,1-4H3/t24-,25+
InChIKey ALRRMCMLQGOBAS-PLQXJYEYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C25H28O2
Exact Mass 360.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ev5jFBvKngX
Name meso-1,6-Bis(.alpha.-hydroxy-.alpha,1.-dimethylbenzyl)cyclohepta-1,3,5-triene
Alternate Name(s) meso-1,6-Bis(.alpha.-hydroxy-.alpha.,1-dimethylbenzyl)cyclohepta-1,3,5-triene (S)-1-[6-((R)-1-Hydroxy-1-p-tolyl-ethyl)-cyclohepta-1,3,5-trienyl]-1-p-tolyl-ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O2
InChI InChI=1S/C25H28O2/c1-18-9-13-20(14-10-18)24(3,26)22-7-5-6-8-23(17-22)25(4,27)21-15-11-19(2)12-16-21/h5-16,26-27H,17H2,1-4H3/t24-,25+
InChIKey ALRRMCMLQGOBAS-PLQXJYEYSA-N
Molecular Weight 360.497 g/mol
SMILES O[C@@](C=1CC([C@](c2ccc(cc2)C)(O)C)=CC=CC1)(c1ccc(cc1)C)C
SPLASH splash10-014i-1932000000-9917e6c3a7a47b9faa6b
Source of Spectrum AJ-73-1667-5
Wiley ID 775387