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3-Phenyliodonio-2-amino-1,4-naphthoquinone trifluoroacetate
SpectraBase Compound ID IWX6TiwKI9
InChI InChI=1S/C16H10INO2.C2HF3O2/c18-14-13(17-10-6-2-1-3-7-10)15(19)11-8-4-5-9-12(11)16(14)20;3-2(4,5)1(6)7/h1-9H,(H-,18,19);(H,6,7)
InChIKey XHMQCYYHQZFAPO-UHFFFAOYSA-N
Mol Weight 489.19 g/mol
Molecular Formula C18H11F3INO4
Exact Mass 488.968487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeI5H7f0qdk
Name 3-Phenyliodonio-2-amino-1,4-naphthoquinone trifluoroacetate
Alternate Name(s) (3-amino-1,4-dioxo-1,4-dihydro-2-naphthalenyl)(phenyl)iodonium trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F3INO4
InChI InChI=1S/C16H10INO2.C2HF3O2/c18-14-13(17-10-6-2-1-3-7-10)15(19)11-8-4-5-9-12(11)16(14)20;3-2(4,5)1(6)7/h1-9H,(H-,18,19);(H,6,7)
InChIKey XHMQCYYHQZFAPO-UHFFFAOYSA-N
Molecular Weight 489.189 g/mol
SMILES C(C([O-])=O)(F)(F)F.NC1=C(C(c2c(cccc2)C1=O)=O)[I+]c1ccccc1
SPLASH splash10-004i-9333000000-89e7a599aa009b9b63bb
Source of Spectrum F-53-6106-13
Wiley ID 801974