| SpectraBase Spectrum ID |
FgCh23nK5q8 |
| Name |
(E/Z)-S-Methyl-2-benzyloxy-2-(2,3-dihydro-1,5-benzothiazin-4(5H)-ylidene)thioacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.085721202 u |
| Formula |
C19H19NO2S2 |
| InChI |
InChI=1S/C19H19NO2S2/c1-23-19(21)18(22-13-14-7-3-2-4-8-14)16-11-12-24-17-10-6-5-9-15(17)20-16/h2-10,20H,11-13H2,1H3/b18-16+ |
| InChIKey |
HMVYXTZGFALYEV-FBMGVBCBSA-N |
| Molecular Weight |
357.486 g/mol |
| SMILES |
C1=2N\C(=C/(C(=O)SC)OCC3=CC=CC=C3)CCSC1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91115 |
