| SpectraBase Spectrum ID |
AJ5db3M4aNp |
| Name |
2-Cyano-3-(o-fluoroanilino)-3-mercaptoacrylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.037211226 u |
| Formula |
C10H8FN3OS |
| InChI |
InChI=1S/C10H8FN3OS/c11-7-3-1-2-4-8(7)14-10(16)6(5-12)9(13)15/h1-4,14,16H,(H2,13,15) |
| InChIKey |
DZGKAMGHJYWVQU-UHFFFAOYSA-N |
| Molecular Weight |
237.252 g/mol |
| SMILES |
N(C1=C(C=CC=C1)F)C(=C(C(N)=O)C#N)S |
| Spectrum/Structure Validation Score (Raman) |
0.918376 |
