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2-(benzenesulfinylmethyl)pyrimidine-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID LeqvWLfShWG
InChI InChI=1S/C15H14N2O5S/c1-21-14(18)11-8-16-12(17-13(11)15(19)22-2)9-23(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey ALPGSNOTHRPPST-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C15H14N2O5S
Exact Mass 334.062343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nHRgQrlzwc
Name 2-(benzenesulfinylmethyl)pyrimidine-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 2-(benzenesulfinylmethyl)pyrimidine-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O5S
InChI InChI=1S/C15H14N2O5S/c1-21-14(18)11-8-16-12(17-13(11)15(19)22-2)9-23(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey ALPGSNOTHRPPST-UHFFFAOYSA-N
Molecular Weight 334.346 g/mol
SMILES c1(c(nc(nc1)CS(=O)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0019-0479000000-2ea85ef8abdb5d18998b
Source of Spectrum J-61-2482-47
Wiley ID 1330653