| SpectraBase Spectrum ID |
5B3jVB781Pz |
| Name |
Ethyl-(E)-3-phenylamino-2-phenylsulfanylpropenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.097999963 u |
| Formula |
C17H17NO2S |
| InChI |
InChI=1S/C17H17NO2S/c1-2-20-17(19)16(21-15-11-7-4-8-12-15)13-18-14-9-5-3-6-10-14/h3-13,18H,2H2,1H3/b16-13+ |
| InChIKey |
SQKXKMMDTNNZJG-DTQAZKPQSA-N |
| Molecular Weight |
299.388 g/mol |
| SMILES |
C(\C(SC1=CC=CC=C1)=C/NC=1C=CC=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928858 |
