| SpectraBase Spectrum ID |
LDGsInvl6TC |
| Name |
5-(Tert-butylimino)-4,5-dihydro-4,4-diphenyl-2-(phenylamino)thiazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.176918991 u |
| Formula |
C25H25N3S |
| InChI |
InChI=1S/C25H25N3S/c1-24(2,3)27-22-25(19-13-7-4-8-14-19,20-15-9-5-10-16-20)28-23(29-22)26-21-17-11-6-12-18-21/h4-18H,1-3H3,(H,26,28)/b27-22- |
| InChIKey |
UNBOQHYTYOZUPW-QYQHSDTDSA-N |
| Molecular Weight |
399.556 g/mol |
| SMILES |
C=1(S\C(C(N1)(C=1C=CC=CC1)C=1C=CC=CC1)=N\C(C)(C)C)NC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859638 |
