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2-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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2-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 1tByRoG3PRR
InChI InChI=1S/C25H21N5S/c1-15-11-17(12-18(13-26)24-28-21-8-4-5-9-22(21)29-24)16(2)30(15)25-20(14-27)19-7-3-6-10-23(19)31-25/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,28,29)/b18-12+
InChIKey YARNGUZODULFAU-LDADJPATSA-N
Mol Weight 423.54 g/mol
Molecular Formula C25H21N5S
Exact Mass 423.151767 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66GsBZLMB96
Name 2-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C25H21N5S/c1-15-11-17(12-18(13-26)24-28-21-8-4-5-9-22(21)29-24)16(2)30(15)25-20(14-27)19-7-3-6-10-23(19)31-25/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,28,29)/b18-12+
InChIKey YARNGUZODULFAU-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2928
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: D06122; Labnumber: AREF-021032; SBI_ID: SBI-002930
Synonyms 2-{3-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature 315 °C