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(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)-2-propenenitrile

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(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)-2-propenenitrile
SpectraBase Compound ID 6DyCVpTlIZS
InChI InChI=1S/C21H15N5O4S2/c1-30-19-7-12(2-5-18(19)27)6-13(9-22)20-23-14(10-31-20)11-32-21-24-16-4-3-15(26(28)29)8-17(16)25-21/h2-8,10,27H,11H2,1H3,(H,24,25)/b13-6+
InChIKey YYQJMMFTXQOYAI-AWNIVKPZSA-N
Mol Weight 465.5 g/mol
Molecular Formula C21H15N5O4S2
Exact Mass 465.056546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6azjpbwWfg
Name (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)-2-propenenitrile
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/C21H15N5O4S2/c1-30-19-7-12(2-5-18(19)27)6-13(9-22)20-23-14(10-31-20)11-32-21-24-16-4-3-15(26(28)29)8-17(16)25-21/h2-8,10,27H,11H2,1H3,(H,24,25)/b13-6+
InChIKey YYQJMMFTXQOYAI-AWNIVKPZSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11599
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: 803293; Labnumber: EX00076538; VK_ID: VK-011604
Synonyms 3-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)-2-propenenitrile
Temperature 308 °C