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2C-PYN-A (O) 2PFB II
SpectraBase Compound ID GZsmxRKCzPX
InChI InChI=1S/C19H17F10NO5/c1-4-11(35-15(32)17(22,23)19(27,28)29)10-8-12(33-2)9(7-13(10)34-3)5-6-30-14(31)16(20,21)18(24,25)26/h4,7-8H,5-6H2,1-3H3,(H,30,31)/b11-4-
InChIKey HFXKFRRBJVGEPW-WCIBSUBMSA-N
Mol Weight 529.33 g/mol
Molecular Formula C19H17F10NO5
Exact Mass 529.094704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXxQt6BJkkC
Name 2C-PYN-A (O) 2PFB II
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/c1-4-11(35-15(32)17(22,23)19(27,28)29)10-8-12(33-2)9(7-13(10)34-3)5-6-30-14(31)16(20,21)18(24,25)26/h4,7-8H,5-6H2,1-3H3,(H,30,31)/b11-4-
InChIKey HFXKFRRBJVGEPW-WCIBSUBMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 529.331 g/mol
Nominal Mass 529 u
Quality 982
Retention Index 1923
SMILES C(C(F)(F)F)(C(NCCC=1C(=CC(\C(OC(C(C(F)(F)F)(F)F)=O)=C\C)=C(C1)OC)OC)=O)(F)F
SPLASH splash10-016r-2904020000-7717ca7f138a3a2e4a62
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,5-dimethoxy-4-(2-((2,2,3,3,3-pentafluoropropanoyl)amino)ethyl)phenyl)prop-1-en-1-yl \r2,2,3,3,3-pentafluoropropanoate
Technique GC/MS
Wiley ID DD2024_016733