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{[5-carboxy-2-(methylthio)-4-pyrimidinyl]oxy}sodium, ethyl ester
SpectraBase Compound ID ErBMXoIM1I8
InChI InChI=1S/C8H10N2O3S.Na/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11;/h4H,3H2,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKey BWBUPEYDOYHRFY-UHFFFAOYSA-M
Mol Weight 236.22 g/mol
Molecular Formula C8H9N2NaO3S
Exact Mass 236.023158 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JI2RcH1dUwC
Name {[5-carboxy-2-(methylthio)-4-pyrimidinyl]oxy}sodium, ethyl ester
Source of Sample H. J. Minnemeyer, State University of New York, Buffalo, New York
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N2NaO3S
InChI InChI=1S/C8H10N2O3S.Na/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11;/h4H,3H2,1-2H3,(H,9,10,11);/q;+1/p-1
InChIKey BWBUPEYDOYHRFY-UHFFFAOYSA-M
Instrument Name Varian A-60
Literature Reference CANCER RES. 19, 729(1959)
Sadtler NMR Number 1427M
Solvent TFA
Synonyms 5-PYRIMIDINECARBOXYLIC ACID, 4- HYDROXY-2-/METHYLTHIO/-, ETHYL ESTER, SODIUM DERIVATIVE SODIUM, //5-CARBOXY-2-/METHYL- THIO/-4-PYRIMIDINYL/OXY/-, ETHYL ESTER