| SpectraBase Compound ID | KnRKtrPNdCh |
|---|---|
| InChI | InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13) |
| InChIKey | LFGZKCYBINPOTA-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C9H8N2O2 |
| Exact Mass | 176.058578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bmin6SHjMoL |
|---|---|
| Name | 2,4(1H,3H)-Quinazolinedione, 3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.058577504 u |
| Formula | C9H8N2O2 |
| InChI | InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13) |
| InChIKey | LFGZKCYBINPOTA-UHFFFAOYSA-N |
| Molecular Weight | 176.175 g/mol |
| SMILES | C1(=O)C2=C(NC(N1C)=O)C=CC=C2 |