| SpectraBase Spectrum ID |
LG4jeC33h0A |
| Name |
3-Methyl-2-methylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-fluoro-phenyl)-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.079076038 u |
| Formula |
C13H14FN3O2S |
| InChI |
InChI=1S/C13H14FN3O2S/c1-15-13-17(2)11(18)7-10(20-13)12(19)16-9-6-4-3-5-8(9)14/h3-6,10H,7H2,1-2H3,(H,16,19)/b15-13- |
| InChIKey |
LYZPLFDODUCPQE-SQFISAMPSA-N |
| Molecular Weight |
295.332 g/mol |
| SMILES |
C1=CC=C(C(=C1)F)NC(C1S\C(N(C(C1)=O)C)=N/C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945233 |
![3-Methyl-2-methylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-fluoro-phenyl)-amide](/api/spectrum/LG4jeC33h0A/structure.png?h=300&w=458 "3-Methyl-2-methylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-fluoro-phenyl)-amide")
