| SpectraBase Spectrum ID |
K2YLub5mrJJ |
| Name |
MDMB-4en-PINACA |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
28541 |
| Cell Type |
Neat on gold post |
| Copyright |
Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O3 |
| IUPAC Name |
Methyl (S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indole-3-carboxamido)butanoate |
| InChI |
InChI=1S/C21H28N2O3/c1-6-7-10-13-23-14-16(15-11-8-9-12-17(15)23)19(24)22-18(20(25)26-5)21(2,3)4/h6,8-9,11-12,14,18H,1,7,10,13H2,2-5H3,(H,22,24)/t18-/m1/s1 |
| InChIKey |
DKAYJHYDQWJEBK-GOSISDBHSA-N |
| Molecular Weight |
356.466 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N(C(c1c[n](c2c1cccc2)CCCC=C)=O)[C@](C(OC)=O)(C(C)(C)C)[H] |
| Scans Performed |
1536 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 220, 290 |
