| SpectraBase Spectrum ID |
H2i9uYfYIEf |
| Name |
2-(1,3-Benzodioxol-5-ylimino)-N-(2-fluorophenyl)-3-methyl-4-oxo-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 |
401.084555340 u |
| Formula |
C19H16FN3O4S |
| InChI |
InChI=1S/C19H16FN3O4S/c1-23-17(24)9-16(18(25)22-13-5-3-2-4-12(13)20)28-19(23)21-11-6-7-14-15(8-11)27-10-26-14/h2-8,16H,9-10H2,1H3,(H,22,25)/b21-19+ |
| InChIKey |
BUJWUFSOSDFSRU-XUTLUUPISA-N |
| Molecular Weight |
401.412 g/mol |
| SMILES |
C1(N(\C(SC(C1)C(NC=1C(F)=CC=CC1)=O)=N/C=1C=C2OCOC2=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952903 |
