| SpectraBase Spectrum ID |
GcCA5usOIwM |
| Name |
3-(4-Methoxy-benzyl)-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.098761396 u |
| Formula |
C26H22ClF2N3O4S |
| InChI |
InChI=1S/C26H22ClF2N3O4S/c1-35-20-11-7-17(8-12-20)16-32-23(33)15-22(37-25(32)31-18-5-3-2-4-6-18)24(34)30-19-9-13-21(14-10-19)36-26(27,28)29/h2-14,22H,15-16H2,1H3,(H,30,34)/b31-25- |
| InChIKey |
XTFHKONRFOLEJE-GDWJVWIDSA-N |
| Molecular Weight |
545.989 g/mol |
| SMILES |
C1=CC=C(\N=C\2N(C(CC(C(NC3=CC=C(OC(F)(Cl)F)C=C3)=O)S2)=O)CC2=CC=C(C=C2)OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88555 |
![3-(4-Methoxy-benzyl)-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide](/api/spectrum/GcCA5usOIwM/structure.png?h=300&w=458 "3-(4-Methoxy-benzyl)-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide")
