| SpectraBase Spectrum ID |
6Kbk7V17J7P |
| Name |
2C-PYN-A (O) 2PFB III |
| Classification |
Designer drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
529.094704276 u |
| Formula |
C19H17F10NO5 |
| InChI |
InChI=1S/C19H17F10NO5/c1-9(35-15(32)17(22,23)19(27,28)29)6-11-8-12(33-2)10(7-13(11)34-3)4-5-30-14(31)16(20,21)18(24,25)26/h6-8H,4-5H2,1-3H3,(H,30,31)/b9-6+ |
| InChIKey |
KEAUATDXACXBFG-RMKNXTFCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
529.331 g/mol |
| Nominal Mass |
529 u |
| Quality |
996 |
| Retention Index |
2053 |
| SMILES |
C(C(F)(F)F)(C(NCCC=1C(=CC(=C(C1)OC)\C=C/(OC(C(C(F)(F)F)(F)F)=O)C)OC)=O)(F)F |
| SPLASH |
splash10-0f6x-2903000000-5535ff1278d17ba11ebd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Structure uncertain
1-(2,5-dimethoxy-4-(2-((2,2,3,3,3-pentafluoropropanoyl)amino)ethyl)phenyl)prop-1-en-2-yl 2,2,3,3,3-\rpentafluoropropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016734 |
