| SpectraBase Compound ID | 7GjUlvFwPsy |
|---|---|
| InChI | InChI=1S/C23H31NO2/c1-18(25)26-23(21-8-4-2-5-9-21,12-15-24-13-6-3-7-14-24)22-17-19-10-11-20(22)16-19/h2,4-5,8-11,19-20,22H,3,6-7,12-17H2,1H3 |
| InChIKey | DMNGWGHKRROZIT-UHFFFAOYSA-N |
| Mol Weight | 353.51 g/mol |
| Molecular Formula | C23H31NO2 |
| Exact Mass | 353.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TSLNCmiH8R |
|---|---|
| Name | Biperiden ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.235479240 u |
| Formula | C23H31NO2 |
| InChI | InChI=1S/C23H31NO2/c1-18(25)26-23(21-8-4-2-5-9-21,12-15-24-13-6-3-7-14-24)22-17-19-10-11-20(22)16-19/h2,4-5,8-11,19-20,22H,3,6-7,12-17H2,1H3 |
| InChIKey | DMNGWGHKRROZIT-UHFFFAOYSA-N |
| Molecular Weight | 353.506 g/mol |
| SMILES | C(C1C2CC(C1)C=C2)(C=1C=CC=CC1)(CCN1CCCCC1)OC(=O)C |