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Dimethyl 2-[Bis(phenylthio)methyl]pyrimidine-4,5-dicarboxylate
SpectraBase Compound ID EateaFu01lV
InChI InChI=1S/C21H18N2O4S2/c1-26-19(24)16-13-22-18(23-17(16)20(25)27-2)21(28-14-9-5-3-6-10-14)29-15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKey ZRPLEQYLEJRSBT-UHFFFAOYSA-N
Mol Weight 426.51 g/mol
Molecular Formula C21H18N2O4S2
Exact Mass 426.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id7WIVOS5RZ
Name Dimethyl 2-[Bis(phenylthio)methyl]pyrimidine-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4S2
InChI InChI=1S/C21H18N2O4S2/c1-26-19(24)16-13-22-18(23-17(16)20(25)27-2)21(28-14-9-5-3-6-10-14)29-15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKey ZRPLEQYLEJRSBT-UHFFFAOYSA-N
Molecular Weight 426.505 g/mol
SMILES c1(nc(ncc1C(=O)OC)C(Sc1ccccc1)Sc1ccccc1)C(=O)OC
SPLASH splash10-0159-0049100000-93a8238fd17e58c36282
Source of Spectrum J-61-2481-49
Synonyms Dimethyl 2-[bis(phenylsulfanyl)methyl]-4,5-pyrimidinedicarboxylate Dimethyl 2-[bis(phenylsulfanyl)methyl]pyrimidine-4,5-dicarboxylate
Wiley ID 1379843