| SpectraBase Spectrum ID |
JPEgn60WoN5 |
| Name |
3-Benzyl-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.088196713 u |
| Formula |
C25H20ClF2N3O3S |
| InChI |
InChI=1S/C25H20ClF2N3O3S/c26-25(27,28)34-20-13-11-19(12-14-20)30-24-31(16-17-7-3-1-4-8-17)22(32)15-21(35-24)23(33)29-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,29,33)/b30-24- |
| InChIKey |
SHDDWEHFEITSNC-KRUMMXJUSA-N |
| Molecular Weight |
515.963 g/mol |
| SMILES |
C1=CC=C(CN2\C(SC(CC2=O)C(NC2=CC=CC=C2)=O)=N\C2=CC=C(OC(F)(F)Cl)C=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80661 |
![3-Benzyl-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide](/api/spectrum/JPEgn60WoN5/structure.png?h=300&w=458 "3-Benzyl-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide")
