| SpectraBase Spectrum ID |
4bp55Gkd7C4 |
| Name |
1,4-bis[2',3'-di(Isopropylmercapto)benzamido]-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.197263230 u |
| Formula |
C32H40N2O2S4 |
| InChI |
InChI=1S/C32H40N2O2S4/c1-19(2)37-27-13-9-11-25(29(27)39-21(5)6)31(35)33-23-15-17-24(18-16-23)34-32(36)26-12-10-14-28(38-20(3)4)30(26)40-22(7)8/h9-22H,1-8H3,(H,33,35)(H,34,36) |
| InChIKey |
MJJQWKWKPJBUGF-UHFFFAOYSA-N |
| Molecular Weight |
612.924 g/mol |
| SMILES |
C=1(C(NC2=CC=C(NC(C=3C(=C(SC(C)C)C=CC3)SC(C)C)=O)C=C2)=O)C(=C(SC(C)C)C=CC1)SC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942498 |
![1,4-bis[2',3'-di(Isopropylmercapto)benzamido]-benzene](/api/spectrum/4bp55Gkd7C4/structure.png?h=300&w=458 "1,4-bis[2',3'-di(Isopropylmercapto)benzamido]-benzene")
