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5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylsulfanyl)-2-methyl-N-(2-methylphenyl)nicotinamide

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5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylsulfanyl)-2-methyl-N-(2-methylphenyl)nicotinamide
SpectraBase Compound ID HszXJQnV7pc
InChI InChI=1S/C25H25N3O3S/c1-6-32-25-18(14-26)23(17-11-12-20(30-4)21(13-17)31-5)22(16(3)27-25)24(29)28-19-10-8-7-9-15(19)2/h7-13H,6H2,1-5H3,(H,28,29)
InChIKey LRPZWPBYUMDZSK-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KH2FdKL4BBS
Name 5-cyano-4-(3,4-dimethoxyphenyl)-6-(ethylsulfanyl)-2-methyl-N-(2-methylphenyl)nicotinamide
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/C25H25N3O3S/c1-6-32-25-18(14-26)23(17-11-12-20(30-4)21(13-17)31-5)22(16(3)27-25)24(29)28-19-10-8-7-9-15(19)2/h7-13H,6H2,1-5H3,(H,28,29)
InChIKey LRPZWPBYUMDZSK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23304
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: D38435; Labnumber: ULSK3-0083; SBI_ID: SBI-023308
Temperature 306 °C