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N-(1-chloro-1,1-difluoro-4-phenylbut-3-yn-2-ylidene)-2-iodoaniline
SpectraBase Compound ID HNERNjAG5Vs
InChI InChI=1S/C16H9ClF2IN/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 LDCQFIFBCYLPNB-QNGOZBTKSA-N
Mol Weight 415.61 g/mol
Molecular Formula C16H9ClF2IN
Exact Mass 414.943628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oPqkivjCL9
Name N-(1-chloro-1,1-difluoro-4-phenylbut-3-yn-2-ylidene)-2-iodoaniline
Alternate Name(s) (Z)-N-(1-chloro-1,1-difluoro-4-phenylbut-3-yn-2-ylidene)-2-iodoaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClF2IN
InChI InChI=1S/C16H9ClF2IN/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 LDCQFIFBCYLPNB-QNGOZBTKSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 415.609 g/mol
SMILES c1(\N=C/(C(F)(F)Cl)C#Cc2ccccc2)c(cccc1)I
SPLASH splash10-001i-3059100000-b8007a5cc5b4559d424f
Source of Spectrum ASC-352-1296/SM6-1g
Wiley ID 1764465