| SpectraBase Compound ID | IIKQRZDCkei |
|---|---|
| InChI | InChI=1S/C21H16N2S/c1-15-9-5-8-14-19(15)23-20(16-10-3-2-4-11-16)22-18-13-7-6-12-17(18)21(23)24/h2-14H,1H3 |
| InChIKey | JSAYGHNZBBNMCV-UHFFFAOYSA-N |
| Mol Weight | 328.43 g/mol |
| Molecular Formula | C21H16N2S |
| Exact Mass | 328.10342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Qf6Jhr3GTd |
|---|---|
| Name | 2-Phenyl-3-(2-methylphenyl)-4(3H)-quinazolinthione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.103419697 u |
| Formula | C21H16N2S |
| InChI | InChI=1S/C21H16N2S/c1-15-9-5-8-14-19(15)23-20(16-10-3-2-4-11-16)22-18-13-7-6-12-17(18)21(23)24/h2-14H,1H3 |
| InChIKey | JSAYGHNZBBNMCV-UHFFFAOYSA-N |
| Molecular Weight | 328.433 g/mol |
| SMILES | C=1(N(C(C2=C(N1)C=CC=C2)=S)C=1C(C)=CC=CC1)C=1C=CC=CC1 |