| SpectraBase Compound ID | 4xO9X6SdzAP |
|---|---|
| InChI | InChI=1S/C16H13ClN2OS/c1-21-16-18-14-5-3-2-4-13(14)15(20)19(16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
| InChIKey | WOYVGVIVMYKXNM-UHFFFAOYSA-N |
| Mol Weight | 316.81 g/mol |
| Molecular Formula | C16H13ClN2OS |
| Exact Mass | 316.043712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzbEOSL8qvl |
|---|---|
| Name | 3-(p-Chlorobenzyl)-2-(methylthio)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.043711920 u |
| Formula | C16H13ClN2OS |
| InChI | InChI=1S/C16H13ClN2OS/c1-21-16-18-14-5-3-2-4-13(14)15(20)19(16)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
| InChIKey | WOYVGVIVMYKXNM-UHFFFAOYSA-N |
| Molecular Weight | 316.806 g/mol |
| SMILES | C1=CC=CC2=C1C(=O)N(C(=N2)SC)CC1=CC=C(Cl)C=C1 |