| SpectraBase Spectrum ID |
8OtpWM6hLJK |
| Name |
Cocaine hydrochloride |
| Source of Sample |
Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number |
01800 |
| Lot Number |
28155 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
53-21-4 |
| Classification |
Coca Leaves, Cocaine, and Ecgonine |
| Code of Federal Regulations |
21 CFR Section 1308.12 (b) (4) |
| Copyright |
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| DEA Controlled Substances Code Number |
9041 |
| Formula |
C17H22ClNO4 |
| InChI |
InChI=1S/C17H21NO4.ClH/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;1H/t12-,13+,14-,15+;/m0./s1 |
| InChIKey |
PIQVDUKEQYOJNR-VZXSFKIWSA-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].Cl |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride |
| Technique |
ATR-Neat (DuraSamplIR II) |
