| SpectraBase Compound ID | IMapyYIKv1p |
|---|---|
| InChI | InChI=1S/C16H21NO2/c1-2-19-16(18)11-5-3-4-8-13-12-17-15-10-7-6-9-14(13)15/h6-7,9-10,12,17H,2-5,8,11H2,1H3 |
| InChIKey | KCLHQNGFBMMLRD-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C16H21NO2 |
| Exact Mass | 259.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wXnGDBPV3m |
|---|---|
| Name | Ethyl 6-(indol-3'-yl)hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.157228918 u |
| Formula | C16H21NO2 |
| InChI | InChI=1S/C16H21NO2/c1-2-19-16(18)11-5-3-4-8-13-12-17-15-10-7-6-9-14(13)15/h6-7,9-10,12,17H,2-5,8,11H2,1H3 |
| InChIKey | KCLHQNGFBMMLRD-UHFFFAOYSA-N |
| Molecular Weight | 259.349 g/mol |
| SMILES | C=1NC2=C(C1CCCCCC(=O)OCC)C=CC=C2 |