For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[({[(E)-(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic acid
SpectraBase Compound ID 6VjW50q49nz
InChI InChI=1S/C16H16N4O5S/c1-9-2-4-10(5-3-9)20-15(25)11(14(24)19-16(20)26)6-17-7-12(21)18-8-13(22)23/h2-6,17H,7-8H2,1H3,(H,18,21)(H,22,23)(H,19,24,26)/b11-6+
InChIKey VJUVVPPVGSJWAV-IZZDOVSWSA-N
Mol Weight 376.39 g/mol
Molecular Formula C16H16N4O5S
Exact Mass 376.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LXx7aGVd5aY
Name [({[(E)-(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic 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/C16H16N4O5S/c1-9-2-4-10(5-3-9)20-15(25)11(14(24)19-16(20)26)6-17-7-12(21)18-8-13(22)23/h2-6,17H,7-8H2,1H3,(H,18,21)(H,22,23)(H,19,24,26)/b11-6+
InChIKey VJUVVPPVGSJWAV-IZZDOVSWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23428
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: D40389; Labnumber: NC98SP32-1589; SBI_ID: SBI-023432
Synonyms [({[(1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic acid
Temperature 318 °C