| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HGFP4Ffg8e4 |
|---|---|
| Name | 3-(2-carboxyethyl)-1H-indole-2-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | [nH]1c2ccccc2c(c1C(=O)O)CCC(=O)O |
| SPLASH | splash10-0569-2910000000-51af2c265814d34a8012 |
| Source of Spectrum | HC-22-1349-0 |
| Wiley ID | 1234794 |