![2-[(E)-but-2-enyl]sulfanyl-1H-quinazolin-4-one](/api/spectrum/D3cWKgqEZrl/structure.png?h=300&w=458 "2-[(E)-but-2-enyl]sulfanyl-1H-quinazolin-4-one")
| SpectraBase Compound ID | GOSrr8wsYSa |
|---|---|
| InChI | InChI=1S/C12H12N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-7H,8H2,1H3,(H,13,14,15)/b3-2+ |
| InChIKey | YWUNNGGVQSGKEP-NSCUHMNNSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C12H12N2OS |
| Exact Mass | 232.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3cWKgqEZrl |
|---|---|
| Name | 2-[(E)-but-2-Enyl]sulfanyl-1H-quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.067034187 u |
| Formula | C12H12N2OS |
| InChI | InChI=1S/C12H12N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-7H,8H2,1H3,(H,13,14,15)/b3-2+ |
| InChIKey | YWUNNGGVQSGKEP-NSCUHMNNSA-N |
| Molecular Weight | 232.301 g/mol |
| SMILES | C1(NC(=NC=2C=CC=CC12)SC\C=C\C)=O |