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2-{5-[(Z)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID IHh7mLBNPtM
InChI InChI=1S/C17H12N2O5S/c1-19-15(21)12(14(20)18-17(19)25)8-9-6-7-13(24-9)10-4-2-3-5-11(10)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,25)/b12-8-
InChIKey MNEIOLMUJVJYMT-WQLSENKSSA-N
Mol Weight 356.35 g/mol
Molecular Formula C17H12N2O5S
Exact Mass 356.046693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5wSHaVALaa
Name 2-{5-[(Z)-(1-methyl-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/C17H12N2O5S/c1-19-15(21)12(14(20)18-17(19)25)8-9-6-7-13(24-9)10-4-2-3-5-11(10)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,25)/b12-8-
InChIKey MNEIOLMUJVJYMT-WQLSENKSSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22800
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: D35829; Labnumber: SPDEM4-15189; SBI_ID: SBI-022804
Synonyms 2-{5-[(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid
Temperature 308 °C