| SpectraBase Spectrum ID |
CKl1yBy7KPN |
| Name |
Pyrimidine-4,6-dione, hexahydro-5-(3,4-methylenedioxybenzyl)-1-(2-methylphenyl)-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.083078173 u |
| Formula |
C19H16N2O4S |
| InChI |
InChI=1S/C19H16N2O4S/c1-11-4-2-3-5-14(11)21-18(23)13(17(22)20-19(21)26)8-12-6-7-15-16(9-12)25-10-24-15/h2-7,9,13H,8,10H2,1H3,(H,20,22,26) |
| InChIKey |
JCFULRWJNRWJAC-UHFFFAOYSA-N |
| Molecular Weight |
368.407 g/mol |
| SMILES |
C1=C(C(=CC=C1)C)N1C(NC(=O)C(C1=O)CC1=CC=C2OCOC2=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913913 |
