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3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-6-[(2-methoxy-2-oxoethyl)thio]-4-(2-methoxyphenyl)-2-oxo-, methyl ester

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3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-6-[(2-methoxy-2-oxoethyl)thio]-4-(2-methoxyphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID 4tbK4g6YmET
InChI InChI=1S/C18H18N2O6S/c1-24-12-7-5-4-6-10(12)14-11(8-19)17(27-9-13(21)25-2)20-16(22)15(14)18(23)26-3/h4-7,14-15H,9H2,1-3H3,(H,20,22)
InChIKey GHOGZMABNBYCRE-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H18N2O6S
Exact Mass 390.088557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21GyruRipgW
Name 3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-6-[(2-methoxy-2-oxoethyl)thio]-4-(2-methoxyphenyl)-2-oxo-, methyl 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 390.088557476 u
Formula C18H18N2O6S
InChI InChI=1S/C18H18N2O6S/c1-24-12-7-5-4-6-10(12)14-11(8-19)17(27-9-13(21)25-2)20-16(22)15(14)18(23)26-3/h4-7,14-15H,9H2,1-3H3,(H,20,22)
InChIKey GHOGZMABNBYCRE-UHFFFAOYSA-N
Molecular Weight 390.410 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1533
Solvent DMSO-d6
Source Vendor ID: ZI/8159995; Lab Info: KR; Lab Number: KR-ug00362
Temperature 29.85 °C