| SpectraBase Spectrum ID |
78WMN3NSGqV |
| Name |
5-Chloro MDMB-PICA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23438 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29ClN2O3 |
| IUPAC Name |
Methyl (S)-2-(1-(5-chloropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate |
| InChI |
InChI=1S/C21H29ClN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1 |
| InChIKey |
RDYYVCJZBGFEEK-GOSISDBHSA-N |
| Molecular Weight |
392.927 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1c2ccccc2[n](c1)CCCCCCl)=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
| Scans Performed |
2496 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 218, 246 |
