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4-((5E)-5-[(5-methyl-2-thienyl)methylene]-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl)benzoic acid
SpectraBase Compound ID 6WaLkdTnN8T
InChI InChI=1S/C17H12N2O5S/c1-9-2-7-12(25-9)8-13-14(20)18-17(24)19(15(13)21)11-5-3-10(4-6-11)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,24)/b13-8+
InChIKey MBFVAYNTFXKXKZ-MDWZMJQESA-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 ImnzpO9JmT9
Name 4-((5E)-5-[(5-methyl-2-thienyl)methylene]-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl)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/c1-9-2-7-12(25-9)8-13-14(20)18-17(24)19(15(13)21)11-5-3-10(4-6-11)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,24)/b13-8+
InChIKey MBFVAYNTFXKXKZ-MDWZMJQESA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3051
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/9223964; Labnumber: LP-0011338