| SpectraBase Spectrum ID |
8dS3xqSQ8Uc |
| Name |
4-Benzoyl-6-tert-butyl-1,3-phenylene o,o'-bis(toluenesulfonyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
578.143295647 u |
| Formula |
C31H30O7S2 |
| InChI |
InChI=1S/C31H30O7S2/c1-21-11-15-24(16-12-21)39(33,34)37-28-20-29(38-40(35,36)25-17-13-22(2)14-18-25)27(31(3,4)5)19-26(28)30(32)23-9-7-6-8-10-23/h6-20H,1-5H3 |
| InChIKey |
TTZJYXPYMGGMDP-UHFFFAOYSA-N |
| Molecular Weight |
578.694 g/mol |
| SMILES |
C1(OS(C2=CC=C(C=C2)C)(=O)=O)=C(C=C(C(=C1)OS(C1=CC=C(C=C1)C)(=O)=O)C(=O)C1=CC=CC=C1)C(C)(C)C |
