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4,6-diisopropyl-1-hydroxy-2,2-dimethyl-1-[4-(4-benzoylbenzyl)phenyl]cyclobuta[3,4-a]benzene
SpectraBase Compound ID 3HOtko8XlRI
InChI InChI=1S/C36H38O2/c1-23(2)29-21-31(24(3)4)33-32(22-29)35(5,6)36(33,38)30-18-14-26(15-19-30)20-25-12-16-28(17-13-25)34(37)27-10-8-7-9-11-27/h7-19,21-24,38H,20H2,1-6H3
InChIKey MPYXCPSAUNTWTQ-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C36H38O2
Exact Mass 502.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FGulNIGAhh
Name 4,6-diisopropyl-1-hydroxy-2,2-dimethyl-1-[4-(4-benzoylbenzyl)phenyl]cyclobuta[3,4-a]benzene
CAS Registry Number 118298-64-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O2
InChI InChI=1S/C36H38O2/c1-23(2)29-21-31(24(3)4)33-32(22-29)35(5,6)36(33,38)30-18-14-26(15-19-30)20-25-12-16-28(17-13-25)34(37)27-10-8-7-9-11-27/h7-19,21-24,38H,20H2,1-6H3
InChIKey MPYXCPSAUNTWTQ-UHFFFAOYSA-N
Molecular Weight 502.698 g/mol
SMILES OC1(c2c(cc(cc2C1(C)C)C(C)C)C(C)C)c1ccc(cc1)Cc1ccc(C(=O)c2ccccc2)cc1
SPLASH splash10-0a4i-0009020000-c944dc2735cd75bb0380
Source of Spectrum J-54-508-7
Synonyms {4-[4-(7-hydroxy-3,5-diisopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)benzyl]phenyl}(phenyl)methanone
Wiley ID 1399356