| SpectraBase Compound ID | D94Qry3z6k4 |
|---|---|
| InChI | InChI=1S/C13H10ClN3OS/c1-7-6-15-13(19-7)17-8(2)16-11-4-3-9(14)5-10(11)12(17)18/h3-6H,1-2H3 |
| InChIKey | UZXSGAZTBTUZSH-UHFFFAOYSA-N |
| Mol Weight | 291.76 g/mol |
| Molecular Formula | C13H10ClN3OS |
| Exact Mass | 291.023311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ksKAFEMSfP |
|---|---|
| Name | 6-Chloro-2-methyl-3-( 5'-methylthazol-2'-yl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.023310827 u |
| Formula | C13H10ClN3OS |
| InChI | InChI=1S/C13H10ClN3OS/c1-7-6-15-13(19-7)17-8(2)16-11-4-3-9(14)5-10(11)12(17)18/h3-6H,1-2H3 |
| InChIKey | UZXSGAZTBTUZSH-UHFFFAOYSA-N |
| Molecular Weight | 291.756 g/mol |
| SMILES | C1(N2C(C=3C(=CC=C(C3)Cl)N=C2C)=O)=NC=C(S1)C |