| SpectraBase Compound ID | 70ZG3lVGkW |
|---|---|
| InChI | InChI=1S/C12H11NO4/c14-10(15)6-5-8-7-3-1-2-4-9(7)13-11(8)12(16)17/h1-4,13H,5-6H2,(H,14,15)(H,16,17) |
| InChIKey | BYJQAPYDPPKJGH-UHFFFAOYSA-N |
| Mol Weight | 233.22 g/mol |
| Molecular Formula | C12H11NO4 |
| Exact Mass | 233.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuMHgnbcS8g |
|---|---|
| Name | 3-(2-Carboxyethyl)-1H-indole-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.068807834 u |
| Formula | C12H11NO4 |
| InChI | InChI=1S/C12H11NO4/c14-10(15)6-5-8-7-3-1-2-4-9(7)13-11(8)12(16)17/h1-4,13H,5-6H2,(H,14,15)(H,16,17) |
| InChIKey | BYJQAPYDPPKJGH-UHFFFAOYSA-N |
| Molecular Weight | 233.223 g/mol |
| SMILES | C1(=C(C=2C=CC=CC2N1)CCC(=O)O)C(=O)O |