SpectraBase Compound ID | ITjGg1brDwz |
---|---|
InChI | InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H |
InChIKey | ZFSPFXJSEHCTTR-UHFFFAOYSA-N |
Mol Weight | 323.91 g/mol |
Molecular Formula | C19H30ClNO |
Exact Mass | 323.201592 g/mol |
SpectraBase Spectrum ID | HFvOacKCZdT |
---|---|
Name | Procyclidine HC l inkbr |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 323.201592289 u |
Formula | C19H30ClNO |
InChI | InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H |
InChIKey | ZFSPFXJSEHCTTR-UHFFFAOYSA-N |
SMILES | C1=CC=CC(C(C2CCCCC2)(O)CCN2CCCC2)=C1.Cl |
Spectrum/Structure Validation Score (Raman) | 0.937025 |