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

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3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester
SpectraBase Compound ID zscGjm7cQK
InChI InChI=1S/C27H29N3O7S/c1-6-15-9-7-8-10-18(15)29-21(31)14-38-26-17(13-28)22(23(25(32)30-26)27(33)37-5)16-11-19(34-2)24(36-4)20(12-16)35-3/h7-12,22-23H,6,14H2,1-5H3,(H,29,31)(H,30,32)
InChIKey DQPGIOZFGMUAJH-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C27H29N3O7S
Exact Mass 539.172621 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AvnirQTDbMz
Name 3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H29N3O7S/c1-6-15-9-7-8-10-18(15)29-21(31)14-38-26-17(13-28)22(23(25(32)30-26)27(33)37-5)16-11-19(34-2)24(36-4)20(12-16)35-3/h7-12,22-23H,6,14H2,1-5H3,(H,29,31)(H,30,32)
InChIKey DQPGIOZFGMUAJH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2178
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11238464