| SpectraBase Spectrum ID |
BTyb5W36AnY |
| Name |
PPTN HCl |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
36854 |
| Lot Number |
0645967-4 |
| CAS Registry Number |
1992047-65-0 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H25ClF3NO2 |
| IUPAC Name |
4-[4-(4-Piperidinyl)phenyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthalenecarboxylic acid, monohydrochloride |
| InChI |
InChI=1S/C29H24F3NO2.ClH/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20;/h1-10,15-17,20,33H,11-14H2,(H,34,35);1H |
| InChIKey |
FKMVYPCBLWYNAV-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
OC(c1cc2cc(-c3ccc(cc3)C(F)(F)F)ccc2c(c1)-c1ccc(cc1)C1CCNCC1)=O.Cl |
| Scans Performed |
1280 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
