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Pyridoxine 3PFP
SpectraBase Compound ID LUL0C5B11T8
InChI InChI=1S/C17H8F15NO6/c1-5-8(39-11(36)14(22,23)17(30,31)32)7(4-38-10(35)13(20,21)16(27,28)29)6(2-33-5)3-37-9(34)12(18,19)15(24,25)26/h2H,3-4H2,1H3
InChIKey CFDVSLYQVZBIGX-UHFFFAOYSA-N
Mol Weight 607.23 g/mol
Molecular Formula C17H8F15NO6
Exact Mass 607.011209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oVIUJldrge
Name Pyridoxine 3PFP
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 607.011209421 u
Formula C17H8F15NO6
InChI InChI=1S/C17H8F15NO6/c1-5-8(39-11(36)14(22,23)17(30,31)32)7(4-38-10(35)13(20,21)16(27,28)29)6(2-33-5)3-37-9(34)12(18,19)15(24,25)26/h2H,3-4H2,1H3
InChIKey CFDVSLYQVZBIGX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 607.228 g/mol
Nominal Mass 607 u
Quality 998
Retention Index 1354
SMILES C(C(OC1=C(C(COC(C(C(F)(F)F)(F)F)=O)=CN=C1C)COC(C(C(F)(F)F)(F)F)=O)=O)(C(F)(F)F)(F)F
SPLASH splash10-014i-6922100000-57f890a8afd2628d1847
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Vitamin B6 3PFP 2-methyl-4,5-bis(((2,2,3,3,3-pentafluoropropanoyl)oxy)methyl)pyridin-3-yl 2,2,3,3,3-\rpentafluoropropanoate
Technique GC/MS
Wiley ID DD2024_009940