| SpectraBase Compound ID | EceBGlmkCeF |
|---|---|
| InChI | InChI=1S/C14H15NO5/c16-12(17)5-6-14(20,13(18)19)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15,20H,5-7H2,(H,16,17)(H,18,19) |
| InChIKey | DFUAHOAVDOWUTF-UHFFFAOYSA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C14H15NO5 |
| Exact Mass | 277.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3QRtyqfu4e4 |
|---|---|
| Name | 2-(1H-Indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.095022582 u |
| Formula | C14H15NO5 |
| InChI | InChI=1S/C14H15NO5/c16-12(17)5-6-14(20,13(18)19)7-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15,20H,5-7H2,(H,16,17)(H,18,19) |
| InChIKey | DFUAHOAVDOWUTF-UHFFFAOYSA-N |
| SMILES | C1(=CNC2=C1C=CC=C2)CC(C(=O)O)(CCC(=O)O)O |