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4-({2-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID 3zPsWv4lcHn
InChI InChI=1S/C21H18N2O5S/c1-22-18(24)16(19(25)23(2)21(22)29)11-15-5-3-4-6-17(15)28-12-13-7-9-14(10-8-13)20(26)27/h3-11H,12H2,1-2H3,(H,26,27)
InChIKey YBLRXXRZNAPCRI-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tS6AaB120A
Name 4-({2-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}methyl)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/C21H18N2O5S/c1-22-18(24)16(19(25)23(2)21(22)29)11-15-5-3-4-6-17(15)28-12-13-7-9-14(10-8-13)20(26)27/h3-11H,12H2,1-2H3,(H,26,27)
InChIKey YBLRXXRZNAPCRI-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8337
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: 9686537; UBI_ID: UBI-008340
Temperature 308 °C