| SpectraBase Compound ID | DgUyZwkAaKn |
|---|---|
| InChI | InChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)17-14(18)12-7-2-3-8-13(12)16-15(17)20/h2-9H,1H3,(H,16,20) |
| InChIKey | MZGPCTQOUIEHPZ-UHFFFAOYSA-N |
| Mol Weight | 284.33 g/mol |
| Molecular Formula | C15H12N2O2S |
| Exact Mass | 284.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33w0pWlSMUw |
|---|---|
| Name | 3-(3-Methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.061948806 u |
| Formula | C15H12N2O2S |
| InChI | InChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)17-14(18)12-7-2-3-8-13(12)16-15(17)20/h2-9H,1H3,(H,16,20) |
| InChIKey | MZGPCTQOUIEHPZ-UHFFFAOYSA-N |
| SMILES | C1(=S)NC2=C(C=CC=C2)C(N1C1=CC(=CC=C1)OC)=O |