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(2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-2-propenamide
SpectraBase Compound ID GR3XKybehJM
InChI InChI=1S/C25H17ClN4O5S/c1-16-6-9-20(10-7-16)36(34,35)29-15-18(21-4-2-3-5-24(21)29)12-17(14-27)25(31)28-23-13-19(30(32)33)8-11-22(23)26/h2-13,15H,1H3,(H,28,31)/b17-12+
InChIKey KZESFQZYNGPCAA-SFQUDFHCSA-N
Mol Weight 520.95 g/mol
Molecular Formula C25H17ClN4O5S
Exact Mass 520.060819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 673LMWOhtbB
Name (2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-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/C25H17ClN4O5S/c1-16-6-9-20(10-7-16)36(34,35)29-15-18(21-4-2-3-5-24(21)29)12-17(14-27)25(31)28-23-13-19(30(32)33)8-11-22(23)26/h2-13,15H,1H3,(H,28,31)/b17-12+
InChIKey KZESFQZYNGPCAA-SFQUDFHCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7903
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: 9686735; UBI_ID: UBI-007906
Synonyms N-(2-chloro-5-nitrophenyl)-2-cyano-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-2-propenamide
Temperature 318 °C