![4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]phenol](/api/spectrum/JyE3TapNzgz/structure.png?h=300&w=458 "4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]phenol")
| SpectraBase Compound ID | 4ZFPcq3NEkK |
|---|---|
| InChI | InChI=1S/C21H21NO/c23-21-11-9-18(10-12-21)6-4-5-15-22-16-13-20(14-17-22)19-7-2-1-3-8-19/h1-3,7-13,23H,5,14-17H2 |
| InChIKey | JLZXBPBMBUIBQC-UHFFFAOYSA-N |
| Mol Weight | 303.41 g/mol |
| Molecular Formula | C21H21NO |
| Exact Mass | 303.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyE3TapNzgz |
|---|---|
| Name | 4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)but-1-ynyl]phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.162314299 u |
| Formula | C21H21NO |
| InChI | InChI=1S/C21H21NO/c23-21-11-9-18(10-12-21)6-4-5-15-22-16-13-20(14-17-22)19-7-2-1-3-8-19/h1-3,7-13,23H,5,14-17H2 |
| InChIKey | JLZXBPBMBUIBQC-UHFFFAOYSA-N |
| Molecular Weight | 303.405 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CCCN1CCC(=CC1)C=1C=CC=CC1)O |