(2E)-3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-2-propenamide

SpectraBase Compound ID	KCEHth9hAPR
InChI	InChI=1S/C31H26ClN3O4S/c1-21-4-3-5-22(2)30(21)35-40(37,38)29-16-12-27(13-17-29)34-31(36)25(19-33)18-23-8-14-28(15-9-23)39-20-24-6-10-26(32)11-7-24/h3-18,35H,20H2,1-2H3,(H,34,36)/b25-18+
InChIKey	YUZXUDSLNLAZOS-XIEYBQDHSA-N Google Search
Mol Weight	572.08 g/mol
Molecular Formula	C31H26ClN3O4S
Exact Mass	571.133255 g/mol

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SpectraBase Spectrum ID	8Y46mxfF6sP
Name	(2E)-3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-2-propenamide
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/C31H26ClN3O4S/c1-21-4-3-5-22(2)30(21)35-40(37,38)29-16-12-27(13-17-29)34-31(36)25(19-33)18-23-8-14-28(15-9-23)39-20-24-6-10-26(32)11-7-24/h3-18,35H,20H2,1-2H3,(H,34,36)/b25-18+
InChIKey	YUZXUDSLNLAZOS-XIEYBQDHSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2676
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: UZI/1009897; Labnumber: ARF3015; UZI_ID: UZI-002678
Synonyms	3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N-{4-[(2,6-dimethylanilino)sulfonyl]phenyl}-2-propenamide
Temperature	308 °C