| SpectraBase Spectrum ID |
A67TPNHyOpe |
| Name |
3-Benzyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid (4-fluoro-phenyl)-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.126026231 u |
| Formula |
C24H20FN3O2S |
| InChI |
InChI=1S/C24H20FN3O2S/c25-18-11-13-20(14-12-18)26-23(30)21-15-22(29)28(16-17-7-3-1-4-8-17)24(31-21)27-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,26,30)/b27-24- |
| InChIKey |
ZQOYMBBFBRZPEW-PNHLSOANSA-N |
| Molecular Weight |
433.501 g/mol |
| SMILES |
C=1C=CC(\N=C\2N(C(CC(C(NC3=CC=C(C=C3)F)=O)S2)=O)CC2=CC=CC=C2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945659 |
![3-Benzyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid (4-fluoro-phenyl)-amide](/api/spectrum/A67TPNHyOpe/structure.png?h=300&w=458 "3-Benzyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid (4-fluoro-phenyl)-amide")
