SpectraBase Spectrum ID |
CdnBSVuThGY |
Name |
3,6-Dihydro-4-phenyl-1(2H)-pyridinepropionic acid, 2,2,2-trichloroethyl ester, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
397.016989654 u |
Formula |
C16H19Cl4NO2 |
InChI |
InChI=1S/C16H18Cl3NO2.ClH/c17-16(18,19)12-22-15(21)8-11-20-9-6-14(7-10-20)13-4-2-1-3-5-13;/h1-6H,7-12H2;1H |
InChIKey |
OFSPOPYUNPNFEA-UHFFFAOYSA-N |
Molecular Weight |
399.145 g/mol |
SMILES |
Cl.C(Cl)(Cl)(Cl)COC(CCN1CCC(=CC1)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.792338 |