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ethyl 4-{[(E)-(1-sec-butyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID 7Rck9iT9MEX
InChI InChI=1S/C18H21N3O4S/c1-4-11(3)21-16(23)14(15(22)20-18(21)26)10-19-13-8-6-12(7-9-13)17(24)25-5-2/h6-11,19H,4-5H2,1-3H3,(H,20,22,26)/b14-10+
InChIKey SGHRDXXOMDUAQY-GXDHUFHOSA-N
Mol Weight 375.44 g/mol
Molecular Formula C18H21N3O4S
Exact Mass 375.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKKLsdgoghG
Name ethyl 4-{[(E)-(1-sec-butyl-4,6-dioxo-2-thioxotetrahydro-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/C18H21N3O4S/c1-4-11(3)21-16(23)14(15(22)20-18(21)26)10-19-13-8-6-12(7-9-13)17(24)25-5-2/h6-11,19H,4-5H2,1-3H3,(H,20,22,26)/b14-10+
InChIKey SGHRDXXOMDUAQY-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17644
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: D28850; Labnumber: KKA-0211-3784; SBI_ID: SBI-017647
Synonyms ethyl 4-{[(1-sec-butyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 318 °C