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3-[4-[(E)-((3E)-3-{4-[(2-cyanoethyl)(methyl)amino]benzylidene}-2-oxocyclopentylidene)methyl](methyl)anilino]propanenitrile

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3-[4-[(E)-((3E)-3-{4-[(2-cyanoethyl)(methyl)amino]benzylidene}-2-oxocyclopentylidene)methyl](methyl)anilino]propanenitrile
SpectraBase Compound ID im4n8Lb4UJ
InChI InChI=1S/C27H28N4O/c1-30(17-3-15-28)25-11-5-21(6-12-25)19-23-9-10-24(27(23)32)20-22-7-13-26(14-8-22)31(2)18-4-16-29/h5-8,11-14,19-20H,3-4,9-10,17-18H2,1-2H3/b23-19+,24-20+
InChIKey VUFJIVYYMBBNCS-BLVCXSLXSA-N
Mol Weight 424.55 g/mol
Molecular Formula C27H28N4O
Exact Mass 424.226312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KUjvEylG36j
Name 3-[4-[(E)-((3E)-3-{4-[(2-cyanoethyl)(methyl)amino]benzylidene}-2-oxocyclopentylidene)methyl](methyl)anilino]propanenitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28N4O/c1-30(17-3-15-28)25-11-5-21(6-12-25)19-23-9-10-24(27(23)32)20-22-7-13-26(14-8-22)31(2)18-4-16-29/h5-8,11-14,19-20H,3-4,9-10,17-18H2,1-2H3/b23-19+,24-20+
InChIKey VUFJIVYYMBBNCS-BLVCXSLXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17274
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00005262; Labnumber: 987/00005262218864; VK_ID: VK-017279
Synonyms 3-[4-[(3-{4-[(2-cyanoethyl)(methyl)amino]benzylidene}-2-oxocyclopentylidene)methyl](methyl)anilino]propanenitrile
Temperature 318 °C