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Noradrenaline-A (-H2O) 3PFP
SpectraBase Compound ID iolOoPG5dA
InChI InChI=1S/C17H6F15NO5/c18-12(19,15(24,25)26)9(34)33-4-3-6-1-2-7(37-10(35)13(20,21)16(27,28)29)8(5-6)38-11(36)14(22,23)17(30,31)32/h1-5H,(H,33,34)/b4-3+
InChIKey ZHDHOWNTVDNWHU-ONEGZZNKSA-N
Mol Weight 589.21 g/mol
Molecular Formula C17H6F15NO5
Exact Mass 589.000645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm745TIlTLk
Name Noradrenaline-A (-H2O) 3PFP
Classification Sympathomimetic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.000644737 u
Formula C17H6F15NO5
InChI InChI=1S/C17H6F15NO5/c18-12(19,15(24,25)26)9(34)33-4-3-6-1-2-7(37-10(35)13(20,21)16(27,28)29)8(5-6)38-11(36)14(22,23)17(30,31)32/h1-5H,(H,33,34)/b4-3+
InChIKey ZHDHOWNTVDNWHU-ONEGZZNKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.213 g/mol
Nominal Mass 589 u
Quality 947
Retention Index 4156
SMILES C(C(N\C=C\C1=CC(=C(OC(C(C(F)(F)F)(F)F)=O)C=C1)OC(C(C(F)(F)F)(F)F)=O)=O)(C(F)(F)F)(F)F
SPLASH splash10-014i-7950320000-c93810d65d525346dce3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-((E)-2-((2,2,3,3,3-pentafluoropropanoyl)amino)ethenyl)-2-((2,2,3,3,3-pentafluoropropanoyl)\roxy)phenyl 2,2,3,3,3-pentafluoropropanoate
Technique GC/MS
Wiley ID DD2024_003276