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N-[4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
SpectraBase Compound ID LeTgRr0IZfW
InChI InChI=1S/C21H16N4O3S/c1-13(26)24-17-5-3-16(4-6-17)23-10-15(9-22)21-25-18(11-29-21)14-2-7-19-20(8-14)28-12-27-19/h2-8,10-11,23H,12H2,1H3,(H,24,26)/b15-10+
InChIKey PSKBPMJZFXHYJP-XNTDXEJSSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4UMSnaTpPru
Name N-[4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
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/C21H16N4O3S/c1-13(26)24-17-5-3-16(4-6-17)23-10-15(9-22)21-25-18(11-29-21)14-2-7-19-20(8-14)28-12-27-19/h2-8,10-11,23H,12H2,1H3,(H,24,26)/b15-10+
InChIKey PSKBPMJZFXHYJP-XNTDXEJSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1330
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: 700816ULGA3-539; Labnumber: 700816ULGA3-539; VK_ID: VK-001331
Synonyms N-[4-({2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
Temperature 315 °C