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2-Iodo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
SpectraBase Compound ID EnB0jY5ur51
InChI InChI=1S/C16H9F3IN/c17-16(18,19)15(11-10-12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)20/h1-9H/b21-15-
InChIKey YLWOWLRPQIJUNE-QNGOZBTKSA-N
Mol Weight 399.15 g/mol
Molecular Formula C16H9F3IN
Exact Mass 398.973179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N6DbFbASr8
Name 2-Iodo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
Alternate Name(s) (Z)-2-iodo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F3IN
InChI InChI=1S/C16H9F3IN/c17-16(18,19)15(11-10-12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)20/h1-9H/b21-15-
InChIKey YLWOWLRPQIJUNE-QNGOZBTKSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 399.155 g/mol
SMILES c1(\N=C/(C(F)(F)F)C#Cc2ccccc2)c(cccc1)I
SPLASH splash10-0udi-2094000000-729abbba831eaaf01ebd
Source of Spectrum ASC-352-1296/SM3-1a
Wiley ID 1764460