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{4-[(E)-(1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID BdINgBKWhGt
InChI InChI=1S/C19H13BrN2O5S/c20-12-3-5-13(6-4-12)22-18(26)15(17(25)21-19(22)28)9-11-1-7-14(8-2-11)27-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,28)/b15-9+
InChIKey NSQXHUMHTBXBGY-OQLLNIDSSA-N
Mol Weight 461.29 g/mol
Molecular Formula C19H13BrN2O5S
Exact Mass 459.972856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Em4S6bgMkuM
Name {4-[(E)-(1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.972855696 u
Formula C19H13BrN2O5S
InChI InChI=1S/C19H13BrN2O5S/c20-12-3-5-13(6-4-12)22-18(26)15(17(25)21-19(22)28)9-11-1-7-14(8-2-11)27-10-16(23)24/h1-9H,10H2,(H,23,24)(H,21,25,28)/b15-9+
InChIKey NSQXHUMHTBXBGY-OQLLNIDSSA-N
Molecular Weight 461.286 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5337
Solvent DMSO-d6
Source Vendor ID: NMR/12318739