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2-(ethylthio)-4-hydroxy-5-pyrimidinecarboxylic acid, ethyl ester
SpectraBase Compound ID FgVi0seqxBi
InChI InChI=1S/C9H12N2O3S/c1-3-14-8(13)6-5-10-9(15-4-2)11-7(6)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKey OVUWQJVYJRQMSC-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C9H12N2O3S
Exact Mass 228.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ldkAnSLK28
Name 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-1,4-dihydro-4-oxo-, ethyl ester
CAS Registry Number 5518-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O3S
InChI InChI=1S/C9H12N2O3S/c1-3-14-8(13)6-5-10-9(15-4-2)11-7(6)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKey OVUWQJVYJRQMSC-UHFFFAOYSA-N
Molecular Weight 228.266 g/mol
SMILES Oc1c(C(OCC)=O)cnc(SCC)n1
SPLASH splash10-0059-7910000000-b9a39f4c74caf216ca5b
Source of Spectrum W5-19509-0-0
Synonyms Ethyl 2-(ethylsulfanyl)-4-hydroxy-5-pyrimidinecarboxylate 2-(ethylthio)-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester 2-(ethylthio)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester 5-Carbethoxy-2-ethylmercapto-4-hydroxypyrimidine 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester Ethyl 2-ethylsulfanyl-6-oxidanylidene-1H-pyrimidine-5-carboxylate Ethyl 2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
Wiley ID 1229127