| SpectraBase Spectrum ID |
B18mG7ka0Fj |
| Name |
1,3-bis(Phenylaminomethyl)-5-phenoxybenzimidazolin-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.167082582 u |
| Formula |
C27H24N4OS |
| InChI |
InChI=1S/C27H24N4OS/c33-27-30(19-28-21-10-4-1-5-11-21)25-17-16-24(32-23-14-8-3-9-15-23)18-26(25)31(27)20-29-22-12-6-2-7-13-22/h1-18,28-29H,19-20H2 |
| InChIKey |
VJPOQAMLAZTHEC-UHFFFAOYSA-N |
| Molecular Weight |
452.576 g/mol |
| SMILES |
C1(N(C=2C(N1CNC=1C=CC=CC1)=CC=C(C2)OC=1C=CC=CC1)CNC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909537 |
