| SpectraBase Compound ID | JLCAlWp1psO |
|---|---|
| InChI | InChI=1S/C16H14N2OS/c19-14(11-6-2-1-3-7-11)10-15-17-13-9-5-4-8-12(13)16(20)18-15/h1-9,14,19H,10H2,(H,17,18,20) |
| InChIKey | XXELXSJSHZVCTD-UHFFFAOYSA-N |
| Mol Weight | 282.36 g/mol |
| Molecular Formula | C16H14N2OS |
| Exact Mass | 282.082684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhUIGc3eZER |
|---|---|
| Name | 2-(2-Hydroxy-2-phenylethyl)-3H-quinazoline-4-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.082684252 u |
| Formula | C16H14N2OS |
| InChI | InChI=1S/C16H14N2OS/c19-14(11-6-2-1-3-7-11)10-15-17-13-9-5-4-8-12(13)16(20)18-15/h1-9,14,19H,10H2,(H,17,18,20) |
| InChIKey | XXELXSJSHZVCTD-UHFFFAOYSA-N |
| SMILES | C1(=NC=2C=CC=CC2C(N1)=S)CC(C=1C=CC=CC1)O |