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2-Bromo-6-(tert-butyl)-4-(phenyl(phenylsulfonyl)methyl)cyclohexa-1,5-dien-1-ol
SpectraBase Compound ID 8ZvvFCrBBx9
InChI InChI=1S/C23H25BrO3S/c1-23(2,3)19-14-17(15-20(24)21(19)25)22(16-10-6-4-7-11-16)28(26,27)18-12-8-5-9-13-18/h4-14,17,22,25H,15H2,1-3H3
InChIKey ZARABJGZUQGXBL-UHFFFAOYSA-N
Mol Weight 461.41 g/mol
Molecular Formula C23H25BrO3S
Exact Mass 460.070779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MDol0sosAK
Name 2-Bromo-6-(tert-butyl)-4-(phenyl(phenylsulfonyl)methyl)cyclohexa-1,5-dien-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25BrO3S
InChI InChI=1S/C23H25BrO3S/c1-23(2,3)19-14-17(15-20(24)21(19)25)22(16-10-6-4-7-11-16)28(26,27)18-12-8-5-9-13-18/h4-14,17,22,25H,15H2,1-3H3
InChIKey ZARABJGZUQGXBL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 461.414 g/mol
SMILES OC1=C(Br)CC(C=C1C(C)(C)C)C(c1ccccc1)S(=O)(=O)c1ccccc1
SPLASH splash10-014i-1009000000-ba15fa3d16274627b11e
Source of Spectrum ACI-52-SMS7-1q_C
Wiley ID 1781570