| SpectraBase Compound ID | 2wr5m5jcUDx |
|---|---|
| InChI | InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2 |
| InChIKey | OBFAPCIUSYHFIE-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ly1H2pkCM8A |
|---|---|
| Name | 1H-Indole-3-acetaldehyde, 5-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2 |
| InChIKey | OBFAPCIUSYHFIE-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C(CC=1C2=C(C=CC(=C2)O)NC1)=O |