| SpectraBase Spectrum ID |
8KGDndV9rhw |
| Name |
EDMB-PINACA |
| Classification |
Indazole cannabinoid designer drug |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
373.236541867 u |
| Formula |
C21H31N3O3 |
| InChI |
InChI=1S/C21H31N3O3/c1-6-8-11-14-24-16-13-10-9-12-15(16)17(23-24)19(25)22-18(21(3,4)5)20(26)27-7-2/h9-10,12-13,18H,6-8,11,14H2,1-5H3,(H,22,25)/t18-/m1/s1 |
| InChIKey |
HKKKXLZFEZHHFC-GOSISDBHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
373.497 g/mol |
| Nominal Mass |
373 u |
| Quality |
999 |
| Retention Index |
2913 |
| SMILES |
[C@@](NC(C=1C=2C(N(N1)CCCCC)=CC=CC2)=O)(C(C)(C)C)(C(OCC)=O)[H] |
| SPLASH |
splash10-014i-1593000000-9d3fc0e30e29b86b636d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl 2-(1-pentyl-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
ethyl (2S)-3,3-dimethyl-2-(((1-pentyl-1H-indazol-3-yl)carbonyl)amino)butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031697 |
