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4-{[(1E)-1-(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
SpectraBase Compound ID JKa9WZouq5N
InChI InChI=1S/C17H19N3O5/c1-3-4-9-20-15(22)13(14(21)19-17(20)25)10(2)18-12-7-5-11(6-8-12)16(23)24/h5-8,18H,3-4,9H2,1-2H3,(H,23,24)(H,19,21,25)/b13-10+
InChIKey JUPCCTUTRSMHNU-JLHYYAGUSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H19N3O5
Exact Mass 345.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NfjH7tJxro
Name 4-{[(1E)-1-(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
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/C17H19N3O5/c1-3-4-9-20-15(22)13(14(21)19-17(20)25)10(2)18-12-7-5-11(6-8-12)16(23)24/h5-8,18H,3-4,9H2,1-2H3,(H,23,24)(H,19,21,25)/b13-10+
InChIKey JUPCCTUTRSMHNU-JLHYYAGUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13864
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: D90944; Labnumber: KKA-0212A-0149; SBI_ID: SBI-013867
Synonyms 4-{[1-(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)ethyl]amino}benzoic acid
Temperature 308 °C