| SpectraBase Spectrum ID |
IrpYt5CFEdP |
| Name |
4(1H)-Quinazolinone, 2,3-dihydro-6,7-dimethoxy-3-methyl-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.056863425 u |
| Formula |
C11H12N2O3S |
| InChI |
InChI=1S/C11H12N2O3S/c1-13-10(14)6-4-8(15-2)9(16-3)5-7(6)12-11(13)17/h4-5H,1-3H3,(H,12,17) |
| InChIKey |
BDKPWMLICQGUCR-UHFFFAOYSA-N |
| Molecular Weight |
252.288 g/mol |
| SMILES |
COC1=CC2=C(C(N(C(N2)=S)C)=O)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904524 |
