| SpectraBase Compound ID | YtGxexTqRC |
|---|---|
| InChI | InChI=1S/C21H27N/c1-3-7-18(8-4-1)20(11-14-22-12-5-2-6-13-22)21-16-17-9-10-19(21)15-17/h1,3-4,7-11,17,19,21H,2,5-6,12-16H2/b20-11+ |
| InChIKey | PQMCETDORMZUFY-RGVLZGJSSA-N |
| Mol Weight | 293.45 g/mol |
| Molecular Formula | C21H27N |
| Exact Mass | 293.21435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1lG8OKAQfrv |
|---|---|
| Name | Biperiden-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.214349873 u |
| Formula | C21H27N |
| InChI | InChI=1S/C21H27N/c1-3-7-18(8-4-1)20(11-14-22-12-5-2-6-13-22)21-16-17-9-10-19(21)15-17/h1,3-4,7-11,17,19,21H,2,5-6,12-16H2/b20-11+ |
| InChIKey | PQMCETDORMZUFY-RGVLZGJSSA-N |
| SMILES | C1(\C(C2=CC=CC=C2)=C\CN2CCCCC2)C2CC(C1)C=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937978 |