| SpectraBase Spectrum ID |
8RMauh4ogcB |
| Name |
bis-(2,6-Dimethyl-1,3-dioxo-2,3,3A,4,7,7A-hexahydro-1H-isoindol-5-ylmethyl)-bis-(phenylsulfonyl)methane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
678.206958532 u |
| Formula |
C35H38N2O8S2 |
| InChI |
InChI=1S/C35H38N2O8S2/c1-21-15-27-29(33(40)36(3)31(27)38)17-23(21)19-35(46(42,43)25-11-7-5-8-12-25,47(44,45)26-13-9-6-10-14-26)20-24-18-30-28(16-22(24)2)32(39)37(4)34(30)41/h5-14,27-30H,15-20H2,1-4H3 |
| InChIKey |
OJCSSLOBUWFRBA-UHFFFAOYSA-N |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)(S(=O)(=O)C=1C=CC=CC1)(CC=1CC2C(N(C)C(C2CC1C)=O)=O)CC=1CC2C(N(C)C(C2CC1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879584 |
