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Ethyl 3-[(4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]propanoate
SpectraBase Compound ID 6iYmYeew5g4
InChI InChI=1S/C9H12N2O3S/c1-2-14-8(13)4-6-15-9-10-5-3-7(12)11-9/h3,5H,2,4,6H2,1H3,(H,10,11,12)
InChIKey UIYJXIJVLQCBRW-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 4WcD2UJ2srS
Name Ethyl 3-[(4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]propanoate
Alternate Name(s) 2-(2-Ethoxycarbonylethylthio)-uracil 3-[(6-keto-1H-pyrimidin-2-yl)thio]propionic acid ethyl ester 3-[(6-oxo-1H-pyrimidin-2-yl)thio]propanoic acid ethyl ester Ethyl 3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Ethyl 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
CAS Registry Number 79361-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O3S
InChI InChI=1S/C9H12N2O3S/c1-2-14-8(13)4-6-15-9-10-5-3-7(12)11-9/h3,5H,2,4,6H2,1H3,(H,10,11,12)
InChIKey UIYJXIJVLQCBRW-UHFFFAOYSA-N
Molecular Weight 228.266 g/mol
SMILES N1C(=NC=CC1=O)SCCC(=O)OCC
SPLASH splash10-0kdi-9550000000-270d4c6c960da60d9da4
Source of Spectrum 0-16-223-11
Wiley ID 1229128