| SpectraBase Spectrum ID |
FOd8FTOFM1Q |
| Name |
N-(2,4,6-Triphenylphenyl)isothiocyanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.108170725 u |
| Formula |
C25H17NS |
| InChI |
InChI=1S/C25H17NS/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H |
| InChIKey |
AFJYTKBKRWQAEP-UHFFFAOYSA-N |
| Molecular Weight |
363.478 g/mol |
| SMILES |
C=1(C(=CC(=CC1C=1C=CC=CC1)C=1C=CC=CC1)C1=CC=CC=C1)N=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909336 |
