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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7wCi7iZdfA
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-[4-(methylthio)phenyl]-,dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.087829201 u
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
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11961
Solvent DMSO-d6
Source Vendor ID: NMR/10211384; Lab Info: SAS; Lab Number: SAS-tst3249