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butyl 3-{5-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
SpectraBase Compound ID KsLJexlgpGw
InChI InChI=1S/C20H18N2O5S/c1-2-3-9-26-19(25)13-6-4-5-12(10-13)16-8-7-14(27-16)11-15-17(23)21-20(28)22-18(15)24/h4-8,10-11H,2-3,9H2,1H3,(H2,21,22,23,24,28)
InChIKey FVWGQLJJXXHNAU-UHFFFAOYSA-N
Mol Weight 398.43 g/mol
Molecular Formula C20H18N2O5S
Exact Mass 398.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1NNefefwe5h
Name butyl 3-{5-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C20H18N2O5S/c1-2-3-9-26-19(25)13-6-4-5-12(10-13)16-8-7-14(27-16)11-15-17(23)21-20(28)22-18(15)24/h4-8,10-11H,2-3,9H2,1H3,(H2,21,22,23,24,28)
InChIKey FVWGQLJJXXHNAU-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3093
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: NMR/9322584; Labnumber: LP-0340126