| SpectraBase Compound ID | IsjFNyplPxh |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-2-3-4-11(12(14)15)9-5-7-10(13)8-6-9/h1,5-8,11H,3-4,13H2,(H,14,15) |
| InChIKey | JUYJOVVKDOMMJG-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyDMloE0set |
|---|---|
| Name | 2-(4-Aminophenyl)-5-hexynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-2-3-4-11(12(14)15)9-5-7-10(13)8-6-9/h1,5-8,11H,3-4,13H2,(H,14,15) |
| InChIKey | JUYJOVVKDOMMJG-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C(C(CCC#C)C=1C=CC(=CC1)N)(=O)O |