| SpectraBase Compound ID | BgInlxCUXsR |
|---|---|
| InChI | InChI=1S/C17H22N2O2/c1-12(20)21-11-5-4-8-16-17-14(9-10-18-16)13-6-2-3-7-15(13)19-17/h2-3,6-7,16,18-19H,4-5,8-11H2,1H3 |
| InChIKey | QKSVCBNSUJJGFA-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C17H22N2O2 |
| Exact Mass | 286.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsUcYxQbtmn |
|---|---|
| Name | 1-(4'-Acetoxybutyl)-1,2,3,4-tetrahydro-.beta.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.168127954 u |
| Formula | C17H22N2O2 |
| InChI | InChI=1S/C17H22N2O2/c1-12(20)21-11-5-4-8-16-17-14(9-10-18-16)13-6-2-3-7-15(13)19-17/h2-3,6-7,16,18-19H,4-5,8-11H2,1H3 |
| InChIKey | QKSVCBNSUJJGFA-UHFFFAOYSA-N |
| SMILES | C1=2NC=3C=CC=CC3C2CCNC1CCCCOC(=O)C |