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2-Iodo-N-(1,1,1-trifluoro-4-(thiophen-2-yl)but-3-yn-2-ylidene)aniline
SpectraBase Compound ID 91LRgoEVuQC
InChI InChI=1S/C14H7F3INS/c15-14(16,17)13(8-7-10-4-3-9-20-10)19-12-6-2-1-5-11(12)18/h1-6,9H/b19-13-
InChIKey CZTIOEMCAGGAFM-UYRXBGFRSA-N
Mol Weight 405.18 g/mol
Molecular Formula C14H7F3INS
Exact Mass 404.9296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yILZTKKgxc
Name 2-Iodo-N-(1,1,1-trifluoro-4-(thiophen-2-yl)but-3-yn-2-ylidene)aniline
Alternate Name(s) (Z)-2-iodo-N-(1,1,1-trifluoro-4-(thiophen-2-yl)but-3-yn-2-ylidene)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7F3INS
InChI InChI=1S/C14H7F3INS/c15-14(16,17)13(8-7-10-4-3-9-20-10)19-12-6-2-1-5-11(12)18/h1-6,9H/b19-13-
InChIKey CZTIOEMCAGGAFM-UYRXBGFRSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 405.177 g/mol
SMILES c1(\N=C/(C(F)(F)F)C#Cc2cccs2)c(cccc1)I
SPLASH splash10-004i-1091000000-5324d3b499394f0017ae
Source of Spectrum ASC-352-1296/SM7-1j
Wiley ID 1764468