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4-{[(1Z)-3-(1,3-benzodioxol-5-yl)-3-oxo-1-propenyl]amino}-N-(2-pyrimidinyl)benzenesulfonamide
SpectraBase Compound ID Jg4eJdM1fnF
InChI InChI=1S/C20H16N4O5S/c25-17(14-2-7-18-19(12-14)29-13-28-18)8-11-21-15-3-5-16(6-4-15)30(26,27)24-20-22-9-1-10-23-20/h1-12,21H,13H2,(H,22,23,24)/b11-8-
InChIKey MRNHQAPQNYPUDJ-FLIBITNWSA-N
Mol Weight 424.43 g/mol
Molecular Formula C20H16N4O5S
Exact Mass 424.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Erej9JB0Pz2
Name 4-{[(1Z)-3-(1,3-benzodioxol-5-yl)-3-oxo-1-propenyl]amino}-N-(2-pyrimidinyl)benzenesulfonamide
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/C20H16N4O5S/c25-17(14-2-7-18-19(12-14)29-13-28-18)8-11-21-15-3-5-16(6-4-15)30(26,27)24-20-22-9-1-10-23-20/h1-12,21H,13H2,(H,22,23,24)/b11-8-
InChIKey MRNHQAPQNYPUDJ-FLIBITNWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7777
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: 127694; Labnumber: RRKU-1248; VK_ID: VK-007781
Synonyms 4-{[3-(1,3-benzodioxol-5-yl)-3-oxo-1-propenyl]amino}-N-(2-pyrimidinyl)benzenesulfonamide
Temperature 318 °C