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(5E)-1-cyclohexyl-5-({[2-(3-pyridinyl)-1-piperidinyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 5XBglBgjITA
InChI InChI=1S/C21H27N5O3/c27-19-17(20(28)26(21(29)24-19)16-8-2-1-3-9-16)14-23-25-12-5-4-10-18(25)15-7-6-11-22-13-15/h6-7,11,13-14,16,18,23H,1-5,8-10,12H2,(H,24,27,29)/b17-14+
InChIKey VPLAOHISIALBSP-SAPNQHFASA-N
Mol Weight 397.48 g/mol
Molecular Formula C21H27N5O3
Exact Mass 397.21139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYHB9xoHVx7
Name (5E)-1-cyclohexyl-5-({[2-(3-pyridinyl)-1-piperidinyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C21H27N5O3/c27-19-17(20(28)26(21(29)24-19)16-8-2-1-3-9-16)14-23-25-12-5-4-10-18(25)15-7-6-11-22-13-15/h6-7,11,13-14,16,18,23H,1-5,8-10,12H2,(H,24,27,29)/b17-14+
InChIKey VPLAOHISIALBSP-SAPNQHFASA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12206
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: 803346; Labnumber: NC98SP32-553; VK_ID: VK-012211
Synonyms 1-cyclohexyl-5-({[2-(3-pyridinyl)-1-piperidinyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 313 °C