| SpectraBase Spectrum ID |
Aq010n1gtUy |
| Name |
2-[2-[(1,3-Dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.109627274 u |
| Formula |
C21H19N3O4S |
| InChI |
InChI=1S/C21H19N3O4S/c1-23-19(26)16(20(27)24(2)21(23)29)12-14-8-6-7-11-17(14)28-13-18(25)22-15-9-4-3-5-10-15/h3-12H,13H2,1-2H3,(H,22,25) |
| InChIKey |
SPYFOVQVZBLQJB-UHFFFAOYSA-N |
| Molecular Weight |
409.460 g/mol |
| SMILES |
C(C1=CC=CC=C1OCC(NC1=CC=CC=C1)=O)=C1C(N(C(N(C1=O)C)=S)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94897 |
![2-[2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide](/api/spectrum/Aq010n1gtUy/structure.png?h=300&w=458 "2-[2-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-phenylacetamide")
