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3-[4-((5E)-5-{[5-(2,5-dichlorophenyl)-2-furyl]methylene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-1-piperazinyl]propanenitrile

View entire compound with spectra: 1 NMR

3-[4-((5E)-5-{[5-(2,5-dichlorophenyl)-2-furyl]methylene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-1-piperazinyl]propanenitrile
SpectraBase Compound ID AjQVif3N5W2
InChI InChI=1S/C21H18Cl2N4O2S/c22-14-2-4-17(23)16(12-14)18-5-3-15(29-18)13-19-20(28)25-21(30-19)27-10-8-26(9-11-27)7-1-6-24/h2-5,12-13H,1,7-11H2/b19-13+
InChIKey ZMSAWEDTUYWPCP-CPNJWEJPSA-N
Mol Weight 461.37 g/mol
Molecular Formula C21H18Cl2N4O2S
Exact Mass 460.052752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BC3ygeOlJYY
Name 3-[4-((5E)-5-{[5-(2,5-dichlorophenyl)-2-furyl]methylene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-1-piperazinyl]propanenitrile
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/C21H18Cl2N4O2S/c22-14-2-4-17(23)16(12-14)18-5-3-15(29-18)13-19-20(28)25-21(30-19)27-10-8-26(9-11-27)7-1-6-24/h2-5,12-13H,1,7-11H2/b19-13+
InChIKey ZMSAWEDTUYWPCP-CPNJWEJPSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10971
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: E03581; Labnumber: EX00112954; SBI_ID: SBI-010974
Synonyms 3-[4-(5-{[5-(2,5-dichlorophenyl)-2-furyl]methylene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-1-piperazinyl]propanenitrile
Temperature 315 °C