| SpectraBase Spectrum ID |
2XvZfujIJ01 |
| Name |
4(3H)-Quinazolinone, 3-(2-fluorophenyl)-2-mercapto- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.041962254 u |
| Formula |
C14H9FN2OS |
| InChI |
InChI=1S/C14H9FN2OS/c15-10-6-2-4-8-12(10)17-13(18)9-5-1-3-7-11(9)16-14(17)19/h1-8H,(H,16,19) |
| InChIKey |
JRHDFWPLWWDYPU-UHFFFAOYSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
C1(F)=CC=CC=C1N1C(S)=NC=2C(C1=O)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944614 |
