| SpectraBase Compound ID | CxlavoFRPa7 |
|---|---|
| InChI | InChI=1S/C12H9NO3/c14-10-3-1-2-4-11(10)16-12(15)9-5-7-13-8-6-9/h1-8,14H |
| InChIKey | TWCFMJBBQZDXBZ-UHFFFAOYSA-N |
| Mol Weight | 215.21 g/mol |
| Molecular Formula | C12H9NO3 |
| Exact Mass | 215.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnRtIgDe0sv |
|---|---|
| Name | 1,2-Benzenediol, o-isonicotinoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.058243151 u |
| Formula | C12H9NO3 |
| InChI | InChI=1S/C12H9NO3/c14-10-3-1-2-4-11(10)16-12(15)9-5-7-13-8-6-9/h1-8,14H |
| InChIKey | TWCFMJBBQZDXBZ-UHFFFAOYSA-N |
| Molecular Weight | 215.208 g/mol |
| SMILES | C1=NC=CC(=C1)C(OC1=CC=CC=C1O)=O |