| SpectraBase Spectrum ID |
5bjjZOXxMqa |
| Name |
3-Hydroxy-2-phenyl-thiocrotonanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.087435280 u |
| Formula |
C16H15NOS |
| InChI |
InChI=1S/C16H15NOS/c1-12(18)15(13-8-4-2-5-9-13)16(19)17-14-10-6-3-7-11-14/h2-11,18H,1H3,(H,17,19)/b15-12+ |
| InChIKey |
DBRGXKHZMHZMAT-NTCAYCPXSA-N |
| Molecular Weight |
269.362 g/mol |
| SMILES |
C(\C(=C/(O)C)C1=CC=CC=C1)(NC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919946 |
