| SpectraBase Compound ID | KarfRNNd5a7 |
|---|---|
| InChI | InChI=1S/C20H31NO2/c22-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-19,22-23H,2,5-6,9-16H2 |
| InChIKey | IZHVXQHDIKFPNU-UHFFFAOYSA-N |
| Mol Weight | 317.47 g/mol |
| Molecular Formula | C20H31NO2 |
| Exact Mass | 317.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lcjKjhZM41 |
|---|---|
| Name | Trihexyphenidyl-m (ho-) P1014 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.235479240 u |
| Formula | C20H31NO2 |
| InChI | InChI=1S/C20H31NO2/c22-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-19,22-23H,2,5-6,9-16H2 |
| InChIKey | IZHVXQHDIKFPNU-UHFFFAOYSA-N |
| Molecular Weight | 317.473 g/mol |
| SMILES | C1=CC=CC=C1C(C1CCC(CC1)O)(CCN1CCCCC1)O |