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3-{5-[(Z)-(1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID SlTJwqTiGt
InChI InChI=1S/C24H18N2O6S/c1-2-31-17-8-4-7-16(12-17)26-22(28)19(21(27)25-24(26)33)13-18-9-10-20(32-18)14-5-3-6-15(11-14)23(29)30/h3-13H,2H2,1H3,(H,29,30)(H,25,27,33)/b19-13-
InChIKey BLSCWBCJXVDBKB-UYRXBGFRSA-N
Mol Weight 462.48 g/mol
Molecular Formula C24H18N2O6S
Exact Mass 462.088557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FSncSeGH4rq
Name 3-{5-[(Z)-(1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}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/C24H18N2O6S/c1-2-31-17-8-4-7-16(12-17)26-22(28)19(21(27)25-24(26)33)13-18-9-10-20(32-18)14-5-3-6-15(11-14)23(29)30/h3-13H,2H2,1H3,(H,29,30)(H,25,27,33)/b19-13-
InChIKey BLSCWBCJXVDBKB-UYRXBGFRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3569
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: 113207; Labnumber: PAVL-218243; VK_ID: VK-003570
Synonyms 3-{5-[(1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 313 °C