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Pyridoxine 3TFA
SpectraBase Compound ID GMjkupaSSjX
InChI InChI=1S/C14H8F9NO6/c1-5-8(30-11(27)14(21,22)23)7(4-29-10(26)13(18,19)20)6(2-24-5)3-28-9(25)12(15,16)17/h2H,3-4H2,1H3
InChIKey DNCWILMVHWWTGD-UHFFFAOYSA-N
Mol Weight 457.2 g/mol
Molecular Formula C14H8F9NO6
Exact Mass 457.02079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEWmPD49MfY
Name Pyridoxine 3TFA
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 457.020790443 u
Formula C14H8F9NO6
InChI InChI=1S/C14H8F9NO6/c1-5-8(30-11(27)14(21,22)23)7(4-29-10(26)13(18,19)20)6(2-24-5)3-28-9(25)12(15,16)17/h2H,3-4H2,1H3
InChIKey DNCWILMVHWWTGD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 457.205 g/mol
Nominal Mass 457 u
Quality 997
Retention Index 1341
SMILES C1(=C(C(=NC=C1COC(C(F)(F)F)=O)C)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O
SPLASH splash10-014i-9420000000-820243ec46f5f5f31e4d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Vitamin B6 3TFA 2-methyl-4,5-bis(((trifluoroacetyl)oxy)methyl)pyridin-3-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_009939