| SpectraBase Compound ID | 7EdyP8ZhA1P |
|---|---|
| InChI | InChI=1S/C16H14N2S/c1-11-7-9-13(10-8-11)18-12(2)17-15-6-4-3-5-14(15)16(18)19/h3-10H,1-2H3 |
| InChIKey | PCUQGPSDQITXLK-UHFFFAOYSA-N |
| Mol Weight | 266.36 g/mol |
| Molecular Formula | C16H14N2S |
| Exact Mass | 266.08777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4C0dSIKzuE |
|---|---|
| Name | 2-Methyl-3-(4-methylphenyl)-4(3H)-quinazolinthione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.087769633 u |
| Formula | C16H14N2S |
| InChI | InChI=1S/C16H14N2S/c1-11-7-9-13(10-8-11)18-12(2)17-15-6-4-3-5-14(15)16(18)19/h3-10H,1-2H3 |
| InChIKey | PCUQGPSDQITXLK-UHFFFAOYSA-N |
| Molecular Weight | 266.362 g/mol |
| SMILES | C1(N(C(C)=NC2=C1C=CC=C2)C=1C=CC(=CC1)C)=S |