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methyl 3-{[(E)-(1-(4-fluorobenzyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID 36MI8GIkWga
InChI InChI=1S/C20H16FN3O5/c1-29-19(27)13-3-2-4-15(9-13)22-10-16-17(25)23-20(28)24(18(16)26)11-12-5-7-14(21)8-6-12/h2-10,22H,11H2,1H3,(H,23,25,28)/b16-10+
InChIKey TUKGHZJZSMABSD-MHWRWJLKSA-N
Mol Weight 397.36 g/mol
Molecular Formula C20H16FN3O5
Exact Mass 397.107399 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2C7IKatYKOb
Name methyl 3-{[(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/C20H16FN3O5/c1-29-19(27)13-3-2-4-15(9-13)22-10-16-17(25)23-20(28)24(18(16)26)11-12-5-7-14(21)8-6-12/h2-10,22H,11H2,1H3,(H,23,25,28)/b16-10+
InChIKey TUKGHZJZSMABSD-MHWRWJLKSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9655
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: D58271; Labnumber: KKA-0211-1807; SBI_ID: SBI-009658
Synonyms methyl 3-{[(1-(4-fluorobenzyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 306 °C