| SpectraBase Compound ID | 6wOXtBHXC6z |
|---|---|
| InChI | InChI=1S/C14H12N2O2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(5-9-13)14(17)18/h2-9H,1H3,(H,17,18)/b16-15+ |
| InChIKey | QLDZCYQMESNYHX-FOCLMDBBSA-N |
| Mol Weight | 240.26 g/mol |
| Molecular Formula | C14H12N2O2 |
| Exact Mass | 240.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVUZJSxj44T |
|---|---|
| Name | 4'-Methylazobenzene-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.089877632 u |
| Formula | C14H12N2O2 |
| InChI | InChI=1S/C14H12N2O2/c1-10-2-6-12(7-3-10)15-16-13-8-4-11(5-9-13)14(17)18/h2-9H,1H3,(H,17,18)/b16-15+ |
| InChIKey | QLDZCYQMESNYHX-FOCLMDBBSA-N |
| Molecular Weight | 240.262 g/mol |
| SMILES | C1=C(\N=N\C2=CC=C(C(=O)O)C=C2)C=CC(=C1)C |