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 |