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5,5,5-trifluoro-4-(2-iodophenylimino)pent-2-ynyl acetate
SpectraBase Compound ID JnIOPBE5QKP
InChI InChI=1S/C13H9F3INO2/c1-9(19)20-8-4-7-12(13(14,15)16)18-11-6-3-2-5-10(11)17/h2-3,5-6H,8H2,1H3/b18-12-
InChIKey XIQCVBFQPFLMSY-PDGQHHTCSA-N
Mol Weight 395.12 g/mol
Molecular Formula C13H9F3INO2
Exact Mass 394.963008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Qvx9hFsBc
Name 5,5,5-trifluoro-4-(2-iodophenylimino)pent-2-ynyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F3INO2
InChI InChI=1S/C13H9F3INO2/c1-9(19)20-8-4-7-12(13(14,15)16)18-11-6-3-2-5-10(11)17/h2-3,5-6H,8H2,1H3/b18-12-
InChIKey XIQCVBFQPFLMSY-PDGQHHTCSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 395.120 g/mol
SMILES C(C)(=O)OCC#C\C(C(F)(F)F)=N\c1c(cccc1)I
SPLASH splash10-0005-9327000000-9995a3e1eef0b03c86be
Source of Spectrum ASC-352-1296/SM9-1m
Synonyms (Z)-5,5,5-trifluoro-4-((2-iodophenyl)imino)pent-2-yn-1-yl acetate
Wiley ID 1764471