| SpectraBase Spectrum ID |
DQHUofrbzTP |
| Name |
2-({4-[Chloro(difluoro)methoxy]phenyl}imino)-N-(3-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-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 |
559.114411461 u |
| Formula |
C27H24ClF2N3O4S |
| InChI |
InChI=1S/C27H24ClF2N3O4S/c1-36-22-9-5-8-20(16-22)31-25(35)23-17-24(34)33(15-14-18-6-3-2-4-7-18)26(38-23)32-19-10-12-21(13-11-19)37-27(28,29)30/h2-13,16,23H,14-15,17H2,1H3,(H,31,35)/b32-26+ |
| InChIKey |
CSJMXLCXNRYYFY-HMZBKAONSA-N |
| Molecular Weight |
560.016 g/mol |
| SMILES |
C1(N(\C(SC(C1)C(NC=1C=C(OC)C=CC1)=O)=N/C=1C=CC(OC(Cl)(F)F)=CC1)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879306 |
![2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(3-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide](/api/spectrum/DQHUofrbzTP/structure.png?h=300&w=458 "2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(3-methoxyphenyl)-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carboxamide")
