| SpectraBase Compound ID | Agz5pBYRKAx |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-7(2)17-13(16)12-8(3)14-11-5-4-9(15)6-10(11)12/h4-7,14-15H,1-3H3 |
| InChIKey | AJWSCYJIOFQSEJ-UHFFFAOYSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jG6N7LgV7K |
|---|---|
| Name | 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, 1-methylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c1-7(2)17-13(16)12-8(3)14-11-5-4-9(15)6-10(11)12/h4-7,14-15H,1-3H3 |
| InChIKey | AJWSCYJIOFQSEJ-UHFFFAOYSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C1=2NC(=C(C2C=C(C=C1)O)C(=O)OC(C)C)C |