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2-Iodo-4-methyl-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
SpectraBase Compound ID 83QR3qijwV3
InChI InChI=1S/C17H11F3IN/c1-12-7-9-15(14(21)11-12)22-16(17(18,19)20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3/b22-16-
InChIKey RNFDWNIJVSNFNV-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 4HzyrAyi6y
Name 2-Iodo-4-methyl-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11F3IN
InChI InChI=1S/C17H11F3IN/c1-12-7-9-15(14(21)11-12)22-16(17(18,19)20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3/b22-16-
InChIKey RNFDWNIJVSNFNV-JWGURIENSA-N
Literature Reference DOI 10.1002/adsc.200900875
Molecular Weight 413.182 g/mol
SMILES c1(\N=C/(C(F)(F)F)C#Cc2ccccc2)c(cc(cc1)C)I
SPLASH splash10-00kf-3096300000-0fc771333fa0edae5552
Source of Spectrum ASC-352-1296/SM4-1b
Synonyms (Z)-2-iodo-4-methyl-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline
Wiley ID 1764461