For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(+/-)-threo-4-Methylmethylphenidate
SpectraBase Compound ID BQPcKW0KNgT
InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey WJZNCJIOIACDBR-KBPBESRZSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9DM158SuW3e
Name (+/-)-threo-4-Methylmethylphenidate
Source of Sample Cayman Chemical Company
Catalog Number Free base of 35030
Lot Number Free base of 0661429-4
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey WJZNCJIOIACDBR-KBPBESRZSA-N
Instrument Name Bio-Rad FTS
SMILES N1[C@@](CCCC1)([C@@](C(OC)=O)(c1ccc(C)cc1)[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 in the diamond window for ATR-IR.
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film