| SpectraBase Spectrum ID |
IbPooS29dYB |
| Name |
N-Phenylbenzimidic acid, diester with 4,4'-sulfonyldiphenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.176978560 u |
| Formula |
C38H28N2O4S |
| InChI |
InChI=1S/C38H28N2O4S/c41-45(42,35-25-21-33(22-26-35)43-37(29-13-5-1-6-14-29)39-31-17-9-3-10-18-31)36-27-23-34(24-28-36)44-38(30-15-7-2-8-16-30)40-32-19-11-4-12-20-32/h1-28H/b39-37+,40-38+ |
| InChIKey |
WQOIJDGWXHUFNF-HVMBLDELSA-N |
| Molecular Weight |
608.712 g/mol |
| SMILES |
C=1C=CC=C(C1)\C(OC=1C=CC(=CC1)S(C=1C=CC(=CC1)O\C(C=1C=CC=CC1)=N/C1=CC=CC=C1)(=O)=O)=N/C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.993481 |
