| SpectraBase Compound ID | LieryI998wa |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-2-9(14)10-11(15)7-5-3-4-6-8(7)13-12(10)16/h3-6H,2H2,1H3,(H2,13,15,16) |
| InChIKey | OPZLGEWITQGHJH-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPP2jWtjKwm |
|---|---|
| Name | 3-Propyonyl-4-hydroxyquinol-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-2-9(14)10-11(15)7-5-3-4-6-8(7)13-12(10)16/h3-6H,2H2,1H3,(H2,13,15,16) |
| InChIKey | OPZLGEWITQGHJH-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C12=C(C=CC=C2)C(=C(C(N1)=O)C(CC)=O)O |