| SpectraBase Spectrum ID |
EzSIlbfbXkZ |
| Name |
Methyl 2-{[4'-oxo-2'-(phenylimino)]-3'-[1''-(methylethylidene)amino]-1',3'-thiazolan-5-ylidene}-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.083412526 u |
| Formula |
C15H15N3O3S |
| InChI |
InChI=1S/C15H15N3O3S/c1-10(2)17-18-14(20)12(9-13(19)21-3)22-15(18)16-11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9+,16-15- |
| InChIKey |
WUMNZUMFTWOMFE-KFGALDLDSA-N |
| Molecular Weight |
317.363 g/mol |
| SMILES |
C1(\C(S\C(N1N=C(C)C)=N\C=1C=CC=CC1)=C/C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926363 |
![Methyl 2-{[4'-oxo-2'-(phenylimino)]-3'-[1''-(methylethylidene)amino]-1',3'-thiazolan-5-ylidene}-acetate](/api/spectrum/EzSIlbfbXkZ/structure.png?h=300&w=458 "Methyl 2-{[4'-oxo-2'-(phenylimino)]-3'-[1''-(methylethylidene)amino]-1',3'-thiazolan-5-ylidene}-acetate")
