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2-[3-ethoxy-3-keto-1-(phenylthio)propyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 2VQOPV2l16s
InChI InChI=1S/C19H20N2O6S/c1-4-27-15(22)10-14(28-12-8-6-5-7-9-12)17-20-11-13(18(23)25-2)16(21-17)19(24)26-3/h5-9,11,14H,4,10H2,1-3H3
InChIKey OQBUNXXFJQLKQG-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C19H20N2O6S
Exact Mass 404.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88X30tf1kU5
Name 2-[3-ethoxy-3-keto-1-(phenylthio)propyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O6S
InChI InChI=1S/C19H20N2O6S/c1-4-27-15(22)10-14(28-12-8-6-5-7-9-12)17-20-11-13(18(23)25-2)16(21-17)19(24)26-3/h5-9,11,14H,4,10H2,1-3H3
InChIKey OQBUNXXFJQLKQG-UHFFFAOYSA-N
Molecular Weight 404.437 g/mol
SMILES c1(nc(ncc1C(=O)OC)C(CC(=O)OCC)Sc1ccccc1)C(=O)OC
SPLASH splash10-0udi-0012900000-0fcf5a3502e63bbe3768
Source of Spectrum J-61-2482-50
Synonyms 2-[3-ethoxy-3-oxo-1-(phenylthio)propyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-(3-ethoxy-3-oxidanylidene-1-phenylsulfanyl-propyl)pyrimidine-4,5-dicarboxylate Dimethyl 2-(3-ethoxy-3-oxo-1-phenylsulfanyl-propyl)pyrimidine-4,5-dicarboxylate
Wiley ID 1371126