| SpectraBase Spectrum ID |
415M8dwG0eO |
| Name |
2-Ethylsulfanyl-6-iodo-3-phenyl-3H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.979329220 u |
| Formula |
C16H13IN2OS |
| InChI |
InChI=1S/C16H13IN2OS/c1-2-21-16-18-14-9-8-11(17)10-13(14)15(20)19(16)12-6-4-3-5-7-12/h3-10H,2H2,1H3 |
| InChIKey |
DDIANGUFTFYYAL-UHFFFAOYSA-N |
| Molecular Weight |
408.257 g/mol |
| SMILES |
C1=CC=2N=C(N(C3=CC=CC=C3)C(C2C=C1I)=O)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928743 |
