| SpectraBase Compound ID | 9s5lbNnTpc2 |
|---|---|
| InChI | InChI=1S/C17H15NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-7,9,13H,8,10H2,(H,18,19)(H,20,21) |
| InChIKey | BRJYOLARVAXBNQ-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C17H15NO5 |
| Exact Mass | 313.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 263FKlmg3cZ |
|---|---|
| Name | 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.095022582 u |
| Formula | C17H15NO5 |
| InChI | InChI=1S/C17H15NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-7,9,13H,8,10H2,(H,18,19)(H,20,21) |
| InChIKey | BRJYOLARVAXBNQ-UHFFFAOYSA-N |
| SMILES | C(C(CC=1C=C2C(=CC1)OCO2)NC(C=1C=CC=CC1)=O)(=O)O |