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Dimethyl 2-[(Phenylthio)methyl]pyrimidine-4,5-dicarboxylate
SpectraBase Compound ID Kb9HCTuLp7E
InChI InChI=1S/C15H14N2O4S/c1-20-14(18)11-8-16-12(17-13(11)15(19)21-2)9-22-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey IAYANJYDFDCPEA-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C15H14N2O4S
Exact Mass 318.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOoimnv9M3j
Name Dimethyl 2-[(Phenylthio)methyl]pyrimidine-4,5-dicarboxylate
Alternate Name(s) Dimethyl 2-[(phenylsulfanyl)methyl]-4,5-pyrimidinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O4S
InChI InChI=1S/C15H14N2O4S/c1-20-14(18)11-8-16-12(17-13(11)15(19)21-2)9-22-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey IAYANJYDFDCPEA-UHFFFAOYSA-N
Molecular Weight 318.347 g/mol
SMILES c1(c(nc(nc1)CSc1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0gb9-0049000000-26853cde96e2856d2a0c
Source of Spectrum J-61-2481-47
Wiley ID 1318184