| SpectraBase Compound ID | GcoGgDFufE3 |
|---|---|
| InChI | InChI=1S/C11H10N2O3/c14-6-1-2-8-7(5-6)11(16)13-4-3-9(15)10(13)12-8/h1-2,5,9,14-15H,3-4H2 |
| InChIKey | MKNHUAILAQZBTQ-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C11H10N2O3 |
| Exact Mass | 218.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oXRp5c9ff2 |
|---|---|
| Name | Vasicionolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.069142187 u |
| Formula | C11H10N2O3 |
| InChI | InChI=1S/C11H10N2O3/c14-6-1-2-8-7(5-6)11(16)13-4-3-9(15)10(13)12-8/h1-2,5,9,14-15H,3-4H2 |
| InChIKey | MKNHUAILAQZBTQ-UHFFFAOYSA-N |
| Molecular Weight | 218.212 g/mol |
| SMILES | C1=2N(C(C=3C(N2)=CC=C(C3)O)=O)CCC1O |