| SpectraBase Compound ID | 5cMJwbbTyqg |
|---|---|
| InChI | InChI=1S/C14H9FN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19) |
| InChIKey | IQKUFJBAPHQXBC-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C14H9FN2OS |
| Exact Mass | 272.041962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSoNI06zeHc |
|---|---|
| Name | 3-(4-Fluorophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.041962254 u |
| Formula | C14H9FN2OS |
| InChI | InChI=1S/C14H9FN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19) |
| InChIKey | IQKUFJBAPHQXBC-UHFFFAOYSA-N |
| Molecular Weight | 272.297 g/mol |
| SMILES | C1(F)=CC=C(C=C1)N1C(=S)NC2=C(C1=O)C=CC=C2 |