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Noradrenaline-A (-H2O) 3TFA
SpectraBase Compound ID J0aqCXYJfVR
InChI InChI=1S/C14H6F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-5H,(H,24,25)/b4-3+
InChIKey PKUASUKEPJTLLY-ONEGZZNKSA-N
Mol Weight 439.19 g/mol
Molecular Formula C14H6F9NO5
Exact Mass 439.010226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkAGbJKbaUq
Name Noradrenaline-A (-H2O) 3TFA
Classification Sympathomimetic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 439.010225759 u
Formula C14H6F9NO5
InChI InChI=1S/C14H6F9NO5/c15-12(16,17)9(25)24-4-3-6-1-2-7(28-10(26)13(18,19)20)8(5-6)29-11(27)14(21,22)23/h1-5H,(H,24,25)/b4-3+
InChIKey PKUASUKEPJTLLY-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.190 g/mol
Nominal Mass 439 u
Quality 964
Retention Index 3226
SMILES C1(=C(OC(C(F)(F)F)=O)C=CC(\C=C\NC(C(F)(F)F)=O)=C1)OC(C(F)(F)F)=O
SPLASH splash10-014r-9342200000-e305303614b84ff90d64
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(2-((trifluoroacetyl)amino)ethenyl)-2-((trifluoroacetyl)oxy)phenyl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_003277