| SpectraBase Compound ID | 2uTiUYnagsw |
|---|---|
| InChI | InChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17) |
| InChIKey | MDAWQYLSKUSBQG-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C14H17NO2 |
| Exact Mass | 231.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFOH728tTSR |
|---|---|
| Name | 6-(1H-Indol-3-yl)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.125928789 u |
| Formula | C14H17NO2 |
| InChI | InChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17) |
| InChIKey | MDAWQYLSKUSBQG-UHFFFAOYSA-N |
| Molecular Weight | 231.295 g/mol |
| SMILES | C=1NC2=C(C1CCCCCC(=O)O)C=CC=C2 |