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2-Iodo-N-(1,1,1-trifluoro-4-p-tolylbut-3-yn-2-ylidene)aniline
SpectraBase Compound ID Q0jVgAy73r
InChI InChI=1S/C17H11F3IN/c1-12-6-8-13(9-7-12)10-11-16(17(18,19)20)22-15-5-3-2-4-14(15)21/h2-9H,1H3/b22-16-
InChIKey STDWODASCQSMQZ-JWGURIENSA-N
Mol Weight 413.18 g/mol
Molecular Formula C17H11F3IN
Exact Mass 412.988829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56I6OfSaHY
Name 2-Iodo-N-(1,1,1-trifluoro-4-p-tolylbut-3-yn-2-ylidene)aniline
Alternate Name(s) (Z)-2-iodo-N-(1,1,1-trifluoro-4-(p-tolyl)but-3-yn-2-ylidene)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3IN
InChI InChI=1S/C17H11F3IN/c1-12-6-8-13(9-7-12)10-11-16(17(18,19)20)22-15-5-3-2-4-14(15)21/h2-9H,1H3/b22-16-
InChIKey STDWODASCQSMQZ-JWGURIENSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 413.182 g/mol
SMILES c1(\N=C/(C(F)(F)F)C#Cc2ccc(cc2)C)c(cccc1)I
SPLASH splash10-014u-1092000000-4d89f8abcdb3d59c09c7
Source of Spectrum ASC-352-1296/SM6-1h
Wiley ID 1764466