| SpectraBase Spectrum ID |
1rheRCMHNhp |
| Name |
(+/-)-threo-4-Fluoromethylphenidate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
Free base of 9002651 |
| Lot Number |
Free base of 0480761-8 |
| Accessory |
DurasamplIR II |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18FNO2 |
| IUPAC Name |
(αR,2R)-rel-α-(4-Fluorophenyl)-2-piperidineacetic acid, methyl ester |
| InChI |
InChI=1S/C14H18FNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m1/s1 |
| InChIKey |
XISBAJBPDVRSPG-CHWSQXEVSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
N1CCCC[C@@]1([C@@](c1ccc(F)cc1)(C(OC)=O)[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. |
| Solvent |
Dichloromethane |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
ATR-Film |
