| SpectraBase Spectrum ID |
93jJobi3Eex |
| Name |
N-Phenylbenzimidic acid, diester with 4,4'-isopropylidenebis(2,6-dichlorophenol) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
722.106139012 u |
| Formula |
C41H30Cl4N2O2 |
| InChI |
InChI=1S/C41H30Cl4N2O2/c1-41(2,29-23-33(42)37(34(43)24-29)48-39(27-15-7-3-8-16-27)46-31-19-11-5-12-20-31)30-25-35(44)38(36(45)26-30)49-40(28-17-9-4-10-18-28)47-32-21-13-6-14-22-32/h3-26H,1-2H3/b46-39+,47-40+ |
| InChIKey |
LBBAHMWBDQECHF-GAYHUDETSA-N |
| SMILES |
C=1C(=CC(=C(C1Cl)O\C(=N\C=1C=CC=CC1)C=1C=CC=CC1)Cl)C(C=1C=C(C(=C(C1)Cl)O\C(C=1C=CC=CC1)=N/C=1C=CC=CC1)Cl)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.992791 |
