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(5Z)-1-(4-chlorophenyl)-5-{[(3-hydroxypropyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID F0ZgXNBN9FD
InChI InChI=1S/C14H14ClN3O4/c15-9-2-4-10(5-3-9)18-13(21)11(8-16-6-1-7-19)12(20)17-14(18)22/h2-5,8,16,19H,1,6-7H2,(H,17,20,22)/b11-8-
InChIKey QDCUPHKYWSSMEK-FLIBITNWSA-N
Mol Weight 323.74 g/mol
Molecular Formula C14H14ClN3O4
Exact Mass 323.067284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DJ2TEQhlbYB
Name (5Z)-1-(4-chlorophenyl)-5-{[(3-hydroxypropyl)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/C14H14ClN3O4/c15-9-2-4-10(5-3-9)18-13(21)11(8-16-6-1-7-19)12(20)17-14(18)22/h2-5,8,16,19H,1,6-7H2,(H,17,20,22)/b11-8-
InChIKey QDCUPHKYWSSMEK-FLIBITNWSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7097
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: 124042; Labnumber: KKA001-0001897; VK_ID: VK-007101
Synonyms 1-(4-chlorophenyl)-5-{[(3-hydroxypropyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C