| SpectraBase Spectrum ID |
GOT7VSgrOoH |
| Name |
Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.972461774 u |
| Formula |
C16H11BrN2O2S |
| InChI |
InChI=1S/C16H11BrN2O2S/c17-11-7-5-10(6-8-11)14(20)9-22-16-18-13-4-2-1-3-12(13)15(21)19-16/h1-8H,9H2,(H,18,19,21) |
| InChIKey |
HDWXIIKIWBTLCV-UHFFFAOYSA-N |
| Molecular Weight |
375.240 g/mol |
| SMILES |
C1=CC=C2C(NC(=NC2=C1)SCC(C1=CC=C(C=C1)Br)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949598 |
![Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]-](/api/spectrum/GOT7VSgrOoH/structure.png?h=300&w=458 "Quinazolin-4(3H)-one, 2-[2-(4-bromophenyl-2-oxoethylthio]-")
