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(5Z)-1-(4-chlorophenyl)-5-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID DAsSkYnRbbJ
InChI InChI=1S/C18H19ClN6O3/c19-12-1-3-13(4-2-12)25-16(27)14(15(26)21-17(25)28)5-20-18-6-22-9-23(7-18)11-24(8-18)10-22/h1-5,20H,6-11H2,(H,21,26,28)/b14-5-
InChIKey KSKZKRMIEFQANV-RZNTYIFUSA-N
Mol Weight 402.84 g/mol
Molecular Formula C18H19ClN6O3
Exact Mass 402.120716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HvLiih5mt9r
Name (5Z)-1-(4-chlorophenyl)-5-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)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/C18H19ClN6O3/c19-12-1-3-13(4-2-12)25-16(27)14(15(26)21-17(25)28)5-20-18-6-22-9-23(7-18)11-24(8-18)10-22/h1-5,20H,6-11H2,(H,21,26,28)/b14-5-
InChIKey KSKZKRMIEFQANV-RZNTYIFUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2959
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: UZI/8074854; UBI_ID: UBI-002960
Synonyms 1-(4-chlorophenyl)-5-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C