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(5E)-5-(1-{[2-(1-cyclohexen-1-yl)ethyl]amino}propylidene)-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 2mDdsKCr75p
InChI InChI=1S/C22H27N3O3/c1-3-18(23-14-13-16-7-5-4-6-8-16)19-20(26)24-22(28)25(21(19)27)17-11-9-15(2)10-12-17/h7,9-12,23H,3-6,8,13-14H2,1-2H3,(H,24,26,28)/b19-18+
InChIKey CMCDYYVOGNWOBG-VHEBQXMUSA-N
Mol Weight 381.48 g/mol
Molecular Formula C22H27N3O3
Exact Mass 381.205242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gqg6nMep7fP
Name (5E)-5-(1-{[2-(1-cyclohexen-1-yl)ethyl]amino}propylidene)-1-(4-methylphenyl)-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/C22H27N3O3/c1-3-18(23-14-13-16-7-5-4-6-8-16)19-20(26)24-22(28)25(21(19)27)17-11-9-15(2)10-12-17/h7,9-12,23H,3-6,8,13-14H2,1-2H3,(H,24,26,28)/b19-18+
InChIKey CMCDYYVOGNWOBG-VHEBQXMUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4741
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: E10323; Labnumber: KKA-0212A-1280; SBI_ID: SBI-004743
Synonyms 5-(1-{[2-(1-cyclohexen-1-yl)ethyl]amino}propylidene)-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C