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2-{5-[(Z)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 8m7gJL8ldqT
InChI InChI=1S/C19H14N2O5S/c1-2-9-21-17(23)14(16(22)20-19(21)27)10-11-7-8-15(26-11)12-5-3-4-6-13(12)18(24)25/h2-8,10H,1,9H2,(H,24,25)(H,20,22,27)/b14-10-
InChIKey NEBBYAXOOGYDDZ-UVTDQMKNSA-N
Mol Weight 382.39 g/mol
Molecular Formula C19H14N2O5S
Exact Mass 382.062343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 74k9tatVgye
Name 2-{5-[(Z)-(1-allyl-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/C19H14N2O5S/c1-2-9-21-17(23)14(16(22)20-19(21)27)10-11-7-8-15(26-11)12-5-3-4-6-13(12)18(24)25/h2-8,10H,1,9H2,(H,24,25)(H,20,22,27)/b14-10-
InChIKey NEBBYAXOOGYDDZ-UVTDQMKNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10632
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: 135262; Labnumber: PAVL-217613; VK_ID: VK-010636
Synonyms 2-{5-[(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C