| SpectraBase Compound ID | CHmgr74W01P |
|---|---|
| InChI | InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16) |
| InChIKey | MSINSMOFQBHROJ-UHFFFAOYSA-N |
| Mol Weight | 264.3 g/mol |
| Molecular Formula | C12H12N2O3S |
| Exact Mass | 264.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TI3AcDZptV |
|---|---|
| Name | 3-Quinazolinebutanoic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.056863425 u |
| Formula | C12H12N2O3S |
| InChI | InChI=1S/C12H12N2O3S/c15-10(16)6-3-7-14-11(17)8-4-1-2-5-9(8)13-12(14)18/h1-2,4-5H,3,6-7H2,(H,13,18)(H,15,16) |
| InChIKey | MSINSMOFQBHROJ-UHFFFAOYSA-N |
| SMILES | N1C=2C(C(N(CCCC(=O)O)C1=S)=O)=CC=CC2 |