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2-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid
SpectraBase Compound ID DLwaPViGvrh
InChI InChI=1S/C12H17N3O6S/c1-14-9(16)7(10(17)15(2)12(14)20)6-13-8(11(18)19)4-5-22(3)21/h6,8,13H,4-5H2,1-3H3,(H,18,19)
InChIKey YNKAVFKHRJTFFQ-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C12H17N3O6S
Exact Mass 331.083806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYvrgPAMPrX
Name 2-{[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfinyl)butanoic 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/C12H17N3O6S/c1-14-9(16)7(10(17)15(2)12(14)20)6-13-8(11(18)19)4-5-22(3)21/h6,8,13H,4-5H2,1-3H3,(H,18,19)
InChIKey YNKAVFKHRJTFFQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23426
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: D40386; Labnumber: NC98SP32-1586; SBI_ID: SBI-023430
Temperature 318 °C