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N-(4-(4-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-ylidene)-2-iodoaniline
SpectraBase Compound ID 4rlg9hhsinC
InChI InChI=1S/C16H8ClF3IN/c17-12-8-5-11(6-9-12)7-10-15(16(18,19)20)22-14-4-2-1-3-13(14)21/h1-6,8-9H/b22-15-
InChIKey BUPSXLVATHLFEZ-JCMHNJIXSA-N
Mol Weight 433.6 g/mol
Molecular Formula C16H8ClF3IN
Exact Mass 432.934206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy5Iv0c2b8h
Name N-(4-(4-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-ylidene)-2-iodoaniline
Alternate Name(s) (Z)-N-(4-(4-chlorophenyl)-1,1,1-trifluorobut-3-yn-2-ylidene)-2-iodoaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8ClF3IN
InChI InChI=1S/C16H8ClF3IN/c17-12-8-5-11(6-9-12)7-10-15(16(18,19)20)22-14-4-2-1-3-13(14)21/h1-6,8-9H/b22-15-
InChIKey BUPSXLVATHLFEZ-JCMHNJIXSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 433.600 g/mol
SMILES c1(\N=C/(C(F)(F)F)C#Cc2ccc(cc2)Cl)c(cccc1)I
SPLASH splash10-0hbi-2092100000-e64053e65f3a139e90d3
Source of Spectrum ASC-352-1296/SM7-1i
Wiley ID 1764467