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ethyl 4-{[(E)-(1-(4-fluorobenzyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID 4QrDB2kITL2
InChI InChI=1S/C21H18FN3O5/c1-2-30-20(28)14-5-9-16(10-6-14)23-11-17-18(26)24-21(29)25(19(17)27)12-13-3-7-15(22)8-4-13/h3-11,23H,2,12H2,1H3,(H,24,26,29)/b17-11+
InChIKey ZYXIUTUJWVOSDH-GZTJUZNOSA-N
Mol Weight 411.39 g/mol
Molecular Formula C21H18FN3O5
Exact Mass 411.123049 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JnXV4gkvzIw
Name ethyl 4-{[(E)-(1-(4-fluorobenzyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
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/C21H18FN3O5/c1-2-30-20(28)14-5-9-16(10-6-14)23-11-17-18(26)24-21(29)25(19(17)27)12-13-3-7-15(22)8-4-13/h3-11,23H,2,12H2,1H3,(H,24,26,29)/b17-11+
InChIKey ZYXIUTUJWVOSDH-GZTJUZNOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9654
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: D58270; Labnumber: KKA-0211-1800; SBI_ID: SBI-009657
Synonyms ethyl 4-{[(1-(4-fluorobenzyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 306 °C