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2-[bis(phenylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester
SpectraBase Compound ID KONlJT4IFEJ
InChI InChI=1S/C20H18N2O2S2/c1-2-24-19(23)15-13-21-18(22-14-15)20(25-16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-14,20H,2H2,1H3
InChIKey GXKHAQLBLRIENL-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C20H18N2O2S2
Exact Mass 382.08097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENYWAq17wxG
Name 2-[bis(phenylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester
Alternate Name(s) 2-[bis(phenylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Ethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O2S2
InChI InChI=1S/C20H18N2O2S2/c1-2-24-19(23)15-13-21-18(22-14-15)20(25-16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-14,20H,2H2,1H3
InChIKey GXKHAQLBLRIENL-UHFFFAOYSA-N
Molecular Weight 382.496 g/mol
SMILES C(c1ncc(cn1)C(=O)OCC)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-00dl-0090000000-e4aa328fb3c515465d33
Source of Spectrum J-61-2482-49
Wiley ID 1360489