| SpectraBase Compound ID | FInOujDdHD8 |
|---|---|
| InChI | InChI=1S/C23H21NO2/c25-15-6-5-14-24-16-21(19-11-3-4-13-22(19)24)23(26)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16,25H,5-6,14-15H2 |
| InChIKey | FIBVDFAPDNJBNI-UHFFFAOYSA-N |
| Mol Weight | 343.43 g/mol |
| Molecular Formula | C23H21NO2 |
| Exact Mass | 343.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChImRdeJ6k |
|---|---|
| Name | jwh 073 N-(4-Hydroxybutyl) metabolite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.157228918 u |
| Formula | C23H21NO2 |
| InChI | InChI=1S/C23H21NO2/c25-15-6-5-14-24-16-21(19-11-3-4-13-22(19)24)23(26)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16,25H,5-6,14-15H2 |
| InChIKey | FIBVDFAPDNJBNI-UHFFFAOYSA-N |
| Molecular Weight | 343.426 g/mol |
| SMILES | C1=CC=C2C(=C1C(=O)C1=CN(CCCCO)C3=C1C=CC=C3)C=CC=C2 |