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Dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID 4SkJue65SRB
InChI InChI=1S/C16H17NO4S/c1-20-15(18)12-8-17-9-13(16(19)21-2)14(12)10-4-6-11(22-3)7-5-10/h4-9,14,17H,1-3H3
InChIKey GBIQHZKFQYTOHW-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXIIhJhmeed
Name Dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylate
Alternate Name(s) 4-[4-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 4-(4-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-4-(4-methylthiophenyl)-, dimethyl ester
CAS Registry Number 347325-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-20-15(18)12-8-17-9-13(16(19)21-2)14(12)10-4-6-11(22-3)7-5-10/h4-9,14,17H,1-3H3
InChIKey GBIQHZKFQYTOHW-UHFFFAOYSA-N
Molecular Weight 319.375 g/mol
SMILES N1C=C(C(C(=C1)C(=O)OC)c1ccc(cc1)SC)C(=O)OC
SPLASH splash10-0002-3911000000-3e25e9430b913bb2593a
Wiley ID 1457636