For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-((1E)-2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
SpectraBase Compound ID 90CMmeWMJOy
InChI InChI=1S/C31H24ClN3O5S/c1-20-5-3-6-21(2)29(20)35-41(38,39)28-15-13-26(14-16-28)34-30(36)24(19-33)17-22-7-4-8-27(18-22)40-31(37)23-9-11-25(32)12-10-23/h3-18,35H,1-2H3,(H,34,36)/b24-17+
InChIKey HQPJUIPCOGTJPH-JJIBRWJFSA-N
Mol Weight 586.06 g/mol
Molecular Formula C31H24ClN3O5S
Exact Mass 585.11252 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8Y7GAGfVSEv
Name 3-((1E)-2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
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/C31H24ClN3O5S/c1-20-5-3-6-21(2)29(20)35-41(38,39)28-15-13-26(14-16-28)34-30(36)24(19-33)17-22-7-4-8-27(18-22)40-31(37)23-9-11-25(32)12-10-23/h3-18,35H,1-2H3,(H,34,36)/b24-17+
InChIKey HQPJUIPCOGTJPH-JJIBRWJFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11964
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: 1003129; UBI_ID: UBI-011967
Synonyms 3-(2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
Temperature 318 °C