| SpectraBase Spectrum ID |
AIBRzKaDVuS |
| Name |
3-(3,4-Dimethoxyphenethyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazolan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.130028366 u |
| Formula |
C20H22N2O4S |
| InChI |
InChI=1S/C20H22N2O4S/c1-24-16-7-5-15(6-8-16)21-20-22(19(23)13-27-20)11-10-14-4-9-17(25-2)18(12-14)26-3/h4-9,12H,10-11,13H2,1-3H3/b21-20- |
| InChIKey |
ONSBTJOSCNLELB-MRCUWXFGSA-N |
| Molecular Weight |
386.466 g/mol |
| SMILES |
COC1=CC=C(\N=C\2N(C(=O)CS2)CCC=2C=C(OC)C(OC)=CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807688 |
![3-(3,4-Dimethoxyphenethyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazolan-4-one](/api/spectrum/AIBRzKaDVuS/structure.png?h=300&w=458 "3-(3,4-Dimethoxyphenethyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazolan-4-one")
