| SpectraBase Compound ID | D2qtHhFntUv |
|---|---|
| InChI | InChI=1S/C15H17NO4/c1-2-20-15(19)14-11(7-5-9-13(17)18)10-6-3-4-8-12(10)16-14/h3-4,6,8,16H,2,5,7,9H2,1H3,(H,17,18) |
| InChIKey | RTWVAPUYIFGXIS-UHFFFAOYSA-N |
| Mol Weight | 275.3 g/mol |
| Molecular Formula | C15H17NO4 |
| Exact Mass | 275.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjpSVeQtxub |
|---|---|
| Name | 4-(2-Carbethoxy-1H-indol-3-yl)butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.115758027 u |
| Formula | C15H17NO4 |
| InChI | InChI=1S/C15H17NO4/c1-2-20-15(19)14-11(7-5-9-13(17)18)10-6-3-4-8-12(10)16-14/h3-4,6,8,16H,2,5,7,9H2,1H3,(H,17,18) |
| InChIKey | RTWVAPUYIFGXIS-UHFFFAOYSA-N |
| SMILES | C(CCCC1=C(NC2=C1C=CC=C2)C(=O)OCC)(=O)O |