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3-pyridinecarboxamide, 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-4-(2-methylpropyl)-
SpectraBase Compound ID HgMXZK0EQKT
InChI InChI=1S/C20H21N3O4S/c1-10(2)6-13-14(8-21)20(23-11(3)18(13)19(22)27)28-9-17(26)12-4-5-15(24)16(25)7-12/h4-5,7,10,24-25H,6,9H2,1-3H3,(H2,22,27)
InChIKey DRTXCSRDYDTUEB-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EePCPmGptdG
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-2-methyl-4-(2-methylpropyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.125277338 u
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/c1-10(2)6-13-14(8-21)20(23-11(3)18(13)19(22)27)28-9-17(26)12-4-5-15(24)16(25)7-12/h4-5,7,10,24-25H,6,9H2,1-3H3,(H2,22,27)
InChIKey DRTXCSRDYDTUEB-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1941
Solvent DMSO-d6
Source Vendor ID: NMR/8325115; Lab Info: DVD; Lab Number: DVD-0003201
Temperature 29.85 °C