| SpectraBase Spectrum ID |
HHD7gzFJu7F |
| Name |
Cocaine |
| Source of Sample |
Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number |
Free base of 01800 |
| Lot Number |
Free base of 28155 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
50-36-2 |
| Classification |
Abused Drug |
| Copyright |
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
| InChIKey |
ZPUCINDJVBIVPJ-LJISPDSOSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
[C@]12(N([C@](C[C@@]([C@@]2(C(OC)=O)[H])(OC(c2ccccc2)=O)[H])(CC1)[H])C)[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 |
Methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate |
| Technique |
ATR-Neat (DuraSamplIR II) Film(MeCl2-hexane recrystallized) |
