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(5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[4-(4-ethyl-1-piperazinyl)anilino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[4-(4-ethyl-1-piperazinyl)anilino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID B7cG6EeE85e
InChI InChI=1S/C25H33N5O2S/c1-2-28-14-16-29(17-15-28)21-10-8-20(9-11-21)26-18-22-23(31)27-25(33)30(24(22)32)13-12-19-6-4-3-5-7-19/h6,8-11,18,26H,2-5,7,12-17H2,1H3,(H,27,31,33)/b22-18+
InChIKey JFDPKDCHYIGWFH-RELWKKBWSA-N
Mol Weight 467.6 g/mol
Molecular Formula C25H33N5O2S
Exact Mass 467.235496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7VJ253VHLzQ
Name (5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[4-(4-ethyl-1-piperazinyl)anilino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C25H33N5O2S/c1-2-28-14-16-29(17-15-28)21-10-8-20(9-11-21)26-18-22-23(31)27-25(33)30(24(22)32)13-12-19-6-4-3-5-7-19/h6,8-11,18,26H,2-5,7,12-17H2,1H3,(H,27,31,33)/b22-18+
InChIKey JFDPKDCHYIGWFH-RELWKKBWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13601
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: D86310; Labnumber: KV-2541; SBI_ID: SBI-013604
Synonyms 1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[4-(4-ethyl-1-piperazinyl)anilino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C