| SpectraBase Spectrum ID |
9V8zJ3RICxc |
| Name |
Propanethioamide, N,N-diethyl-2-(2,4,4-triphenyl-5(4H)-thiazolylidene)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.169391258 u |
| Formula |
C28H28N2S2 |
| InChI |
InChI=1S/C28H28N2S2/c1-4-30(5-2)27(31)21(3)25-28(23-17-11-7-12-18-23,24-19-13-8-14-20-24)29-26(32-25)22-15-9-6-10-16-22/h6-20H,4-5H2,1-3H3/b25-21+ |
| InChIKey |
CCTFSGUJAYOBHE-NJNXFGOHSA-N |
| Molecular Weight |
456.666 g/mol |
| SMILES |
C(\C(=C/1C(N=C(S1)C=1C=CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1)C)(=S)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878255 |
