| SpectraBase Spectrum ID |
2L69p1oqDam |
| Name |
Cocaine hydrochloride |
| Source of Sample |
Alltech Associates, Inc., Grace Davison Discovery Sciences |
| Catalog Number |
01800 |
| Lot Number |
28155 |
| Apodization Function |
Triangular |
| CAS Registry Number |
53-21-4 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| DEA Schedule |
II |
| 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 |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Cocaine HCl |
| Technique |
KBr0 |
