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Benzenepropanenitrile, .alpha.-(3-oxobutyl)-.alpha.-[(phenylmethylene)amino]-
SpectraBase Compound ID An4FxonXoJP
InChI InChI=1S/C20H20N2O/c1-17(23)12-13-20(16-21,14-18-8-4-2-5-9-18)22-15-19-10-6-3-7-11-19/h2-11,15H,12-14H2,1H3/b22-15+
InChIKey FFWNDEIJNHTKJB-PXLXIMEGSA-N
Mol Weight 304.39 g/mol
Molecular Formula C20H20N2O
Exact Mass 304.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fux6xoBX912
Name Benzenepropanenitrile, .alpha.-(3-oxobutyl)-.alpha.-[(phenylmethylene)amino]-
CAS Registry Number 113543-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O
InChI InChI=1S/C20H20N2O/c1-17(23)12-13-20(16-21,14-18-8-4-2-5-9-18)22-15-19-10-6-3-7-11-19/h2-11,15H,12-14H2,1H3/b22-15+
InChIKey FFWNDEIJNHTKJB-PXLXIMEGSA-N
Molecular Weight 304.393 g/mol
SMILES C(#N)C(\N=C\c1ccccc1)(Cc1ccccc1)CCC(=O)C
SPLASH splash10-01ox-9441000000-3d5833a8f1739cafd534
Source of Spectrum AJ-60-3354-2
Synonyms 2-Benzyl-5-oxo-2-{[(E)-phenylmethylidene]amino}hexanenitrile 5-Benzyideneamino-5- cyano-6-phenylhexan-2-one
Wiley ID 1306810