| SpectraBase Compound ID | psGuYV1Bhm |
|---|---|
| InChI | InChI=1S/C20H29N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,14,19H,2-3,6-9,12-13,15-17H2/b20-14+ |
| InChIKey | RPZKNVUFKARNNW-XSFVSMFZSA-N |
| Mol Weight | 283.46 g/mol |
| Molecular Formula | C20H29N |
| Exact Mass | 283.23 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CnsZSiHBYXe |
|---|---|
| Name | Trihexyphenidyl-A (-H2O) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.229999938 u |
| Formula | C20H29N |
| InChI | InChI=1S/C20H29N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,14,19H,2-3,6-9,12-13,15-17H2/b20-14+ |
| InChIKey | RPZKNVUFKARNNW-XSFVSMFZSA-N |
| SMILES | C=1(\C(C2CCCCC2)=C/CN2CCCCC2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936895 |