| SpectraBase Spectrum ID |
I1fmulMgo43 |
| Name |
(E)-4-(2-Bromobenzyl)-2-(N-methylanilino)-6-phenylthiohexa-2,4-dienenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.076532923 u |
| Formula |
C26H23BrN2S |
| InChI |
InChI=1S/C26H23BrN2S/c1-29(23-11-4-2-5-12-23)24(20-28)19-21(18-22-10-8-9-15-26(22)27)16-17-30-25-13-6-3-7-14-25/h2-16,19H,17-18H2,1H3/b21-16+,24-19+ |
| InChIKey |
AIGNYJNCEXFPCN-LHAZJVNNSA-N |
| Molecular Weight |
475.448 g/mol |
| SMILES |
C(\C(\C=C/(N(C1=CC=CC=C1)C)C#N)=C\CSC1=CC=CC=C1)C=1C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844215 |
