| SpectraBase Compound ID | FhLML9ObUpX |
|---|---|
| InChI | InChI=1S/C12H18N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7-8,15H,1,5-6H2,2-3H3,(H2,13,14,16,17,18) |
| InChIKey | UDJWOFMFUFEJJY-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H18N2O4 |
| Exact Mass | 254.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kl8RVN3zV8e |
|---|---|
| Name | 3'-Hydroxyquinalbarbitone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.126657064 u |
| Formula | C12H18N2O4 |
| InChI | InChI=1S/C12H18N2O4/c1-4-5-12(7(2)6-8(3)15)9(16)13-11(18)14-10(12)17/h4,7-8,15H,1,5-6H2,2-3H3,(H2,13,14,16,17,18) |
| InChIKey | UDJWOFMFUFEJJY-UHFFFAOYSA-N |
| Molecular Weight | 254.286 g/mol |
| SMILES | C1(C(C(NC(N1)=O)=O)(C(CC(C)O)C)CC=C)=O |