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4-[(E)-[(3E)-3-(4-iodobenzylidene)-2-keto-cycloheptylidene]methyl]benzonitrile
SpectraBase Compound ID 2hABOOExc8k
InChI InChI=1S/C22H18INO/c23-21-11-9-17(10-12-21)14-20-4-2-1-3-19(22(20)25)13-16-5-7-18(15-24)8-6-16/h5-14H,1-4H2/b19-13+,20-14+
InChIKey HYFALLWAYCNURX-IWGRKNQJSA-N
Mol Weight 439.3 g/mol
Molecular Formula C22H18INO
Exact Mass 439.043309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZowDo8gKFi
Name 4-[(E)-[(3E)-3-(4-iodobenzylidene)-2-keto-cycloheptylidene]methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18INO
InChI InChI=1S/C22H18INO/c23-21-11-9-17(10-12-21)14-20-4-2-1-3-19(22(20)25)13-16-5-7-18(15-24)8-6-16/h5-14H,1-4H2/b19-13+,20-14+
InChIKey HYFALLWAYCNURX-IWGRKNQJSA-N
Molecular Weight 439.296 g/mol
SMILES C1(\C(CCCC\C1=C\c1ccc(cc1)I)=C\c1ccc(cc1)C#N)=O
SPLASH splash10-01ox-0036900000-9752fe3d312461705d8c
Source of Spectrum K-2001-694-6
Synonyms 4-[(E)-[(3E)-3-[(4-iodophenyl)methylene]-2-oxo-cycloheptylidene]methyl]benzonitrile 4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxidanylidene-cycloheptylidene]methyl]benzenecarbonitrile 4-[(E)-[(3E)-3-[(4-iodophenyl)methylidene]-2-oxocycloheptylidene]methyl]benzonitrile
Wiley ID 1578694