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4-((5E)-2,4,6-trioxo-5-(2-thienylmethylene)tetrahydro-1(2H)-pyrimidinyl)benzoic acid

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4-((5E)-2,4,6-trioxo-5-(2-thienylmethylene)tetrahydro-1(2H)-pyrimidinyl)benzoic acid
SpectraBase Compound ID EJNegwgKs3H
InChI InChI=1S/C16H10N2O5S/c19-13-12(8-11-2-1-7-24-11)14(20)18(16(23)17-13)10-5-3-9(4-6-10)15(21)22/h1-8H,(H,21,22)(H,17,19,23)/b12-8+
InChIKey DWEZABWXYPJTIW-XYOKQWHBSA-N
Mol Weight 342.33 g/mol
Molecular Formula C16H10N2O5S
Exact Mass 342.031043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7haIyAtmmrU
Name 4-((5E)-2,4,6-trioxo-5-(2-thienylmethylene)tetrahydro-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/C16H10N2O5S/c19-13-12(8-11-2-1-7-24-11)14(20)18(16(23)17-13)10-5-3-9(4-6-10)15(21)22/h1-8H,(H,21,22)(H,17,19,23)/b12-8+
InChIKey DWEZABWXYPJTIW-XYOKQWHBSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3052
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/9223966; Labnumber: LP-0011337