| SpectraBase Spectrum ID |
EcDx2OxAdn2 |
| Name |
2-Quinazolinecarbodithioic acid, 1-benzoyl-2-cyano-1,2-dihydro-4-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.065654462 u |
| Formula |
C19H15N3OS2 |
| InChI |
InChI=1S/C19H15N3OS2/c1-13-15-10-6-7-11-16(15)22(17(23)14-8-4-3-5-9-14)19(12-20,21-13)18(24)25-2/h3-11H,1-2H3 |
| InChIKey |
BQWXVGLRDZDKKZ-UHFFFAOYSA-N |
| Molecular Weight |
365.469 g/mol |
| SMILES |
C1(N(C=2C=CC=CC2C(=N1)C)C(=O)C1=CC=CC=C1)(C(=S)SC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857493 |
