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4-((5Z)-5-[(5-methyl-2-thienyl)methylene]-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl)benzoic acid
SpectraBase Compound ID 9dpydmUEkpN
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-JYRVWZFOSA-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 CTNbMwk96ZF
Name 4-((5Z)-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-JYRVWZFOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5598
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: D23098; Labnumber: KVEX-30026; SBI_ID: SBI-005600
Synonyms 4-(5-[(5-methyl-2-thienyl)methylene]-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl)benzoic acid
Temperature 318 °C