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N-(4-{[(1E)-1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}phenyl)acetamide
SpectraBase Compound ID 4HircYqjJko
InChI InChI=1S/C22H22N4O4/c1-3-18(24-17-11-9-16(10-12-17)23-14(2)27)19-20(28)25-22(30)26(21(19)29)13-15-7-5-4-6-8-15/h4-12,24H,3,13H2,1-2H3,(H,23,27)(H,25,28,30)/b19-18+
InChIKey CTGDGBLFVSVOPG-VHEBQXMUSA-N
Mol Weight 406.44 g/mol
Molecular Formula C22H22N4O4
Exact Mass 406.164105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4sAP3qhcAfx
Name N-(4-{[(1E)-1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}phenyl)acetamide
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/C22H22N4O4/c1-3-18(24-17-11-9-16(10-12-17)23-14(2)27)19-20(28)25-22(30)26(21(19)29)13-15-7-5-4-6-8-15/h4-12,24H,3,13H2,1-2H3,(H,23,27)(H,25,28,30)/b19-18+
InChIKey CTGDGBLFVSVOPG-VHEBQXMUSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28547
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: D86190; Labnumber: KKA-0212A-1039; SBI_ID: SBI-028551
Synonyms N-(4-{[1-(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)propyl]amino}phenyl)acetamide
Temperature 306 °C