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2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylnicotinonitrile

View entire compound with spectra: 1 NMR

2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylnicotinonitrile
SpectraBase Compound ID HGutGg4A2R6
InChI InChI=1S/C16H14N2O3S/c1-9-5-10(2)18-16(12(9)7-17)22-8-15(21)11-3-4-13(19)14(20)6-11/h3-6,19-20H,8H2,1-2H3
InChIKey KMHRFXOYFNUYGF-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BIddEHX8MAc
Name 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylnicotinonitrile
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/C16H14N2O3S/c1-9-5-10(2)18-16(12(9)7-17)22-8-15(21)11-3-4-13(19)14(20)6-11/h3-6,19-20H,8H2,1-2H3
InChIKey KMHRFXOYFNUYGF-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4330
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/8325133; Labnumber: DVD-0003199; IOH_ID: IOH-004331
Temperature 297 °C