| SpectraBase Compound ID | 6army50Zu73 |
|---|---|
| InChI | InChI=1S/C20H21NO/c22-19-11-5-6-14-21(19)20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20H,5-6,11-14H2 |
| InChIKey | AWSRUZJQJKOZLH-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C20H21NO |
| Exact Mass | 291.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75hVI7kcKPq |
|---|---|
| Name | Amineptine-m (pentanoic acid) -H2O P849 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.162314299 u |
| Formula | C20H21NO |
| InChI | InChI=1S/C20H21NO/c22-19-11-5-6-14-21(19)20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20H,5-6,11-14H2 |
| InChIKey | AWSRUZJQJKOZLH-UHFFFAOYSA-N |
| SMILES | C1C2=C(C(N3CCCCC3=O)C3=C(C1)C=CC=C3)C=CC=C2 |