| SpectraBase Compound ID | HYh4QoLSJj1 |
|---|---|
| InChI | InChI=1S/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12) |
| InChIKey | OARKUZWAGHQLSL-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JdlIc2Vq1i |
|---|---|
| Name | 3-(2-Nitrophenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12) |
| InChIKey | OARKUZWAGHQLSL-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C=1(N(=O)=O)C(CCC(=O)O)=CC=CC1 |