| SpectraBase Spectrum ID |
59eDP6fyMgx |
| Name |
L-733,060 |
| Source of Sample |
Tocris Bioscience |
| Catalog Number |
Free base of 1145 |
| Lot Number |
Free base of 2A/83850 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
148700-85-0 |
| Classification |
potent NK1 antagonist |
| Copyright |
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H19F6NO |
| InChI |
InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1 |
| InChIKey |
FCDRFVCGMLUYPG-ROUUACIJSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
N1CCC[C@](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)([C@@]1(c1ccccc1)[H])[H] |
| Sample Preparation Procedure |
The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR. |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine |
| Technique |
ATR-Film (MeCl2) (DuraSamplIR II) |
