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5-Chloro-2-[2-(3,4-dihydroxy-phenyl)-2-oxo-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
SpectraBase Compound ID C40CXfJUl5n
InChI InChI=1S/C16H13ClN2O3S/c1-8-11(6-18)16(19-9(2)15(8)17)23-7-14(22)10-3-4-12(20)13(21)5-10/h3-5,20-21H,7H2,1-2H3
InChIKey FSHIOUWHMHLICK-UHFFFAOYSA-N
Mol Weight 348.8 g/mol
Molecular Formula C16H13ClN2O3S
Exact Mass 348.033541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gDp9Q7mlVU
Name 3-pyridinecarbonitrile, 5-chloro-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4,6-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.033541158 u
Formula C16H13ClN2O3S
InChI InChI=1S/C16H13ClN2O3S/c1-8-11(6-18)16(19-9(2)15(8)17)23-7-14(22)10-3-4-12(20)13(21)5-10/h3-5,20-21H,7H2,1-2H3
InChIKey FSHIOUWHMHLICK-UHFFFAOYSA-N
Molecular Weight 348.804 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14051
Solvent DMSO-d6
Source Vendor ID: NMR/10270710; Lab Info: KE; Lab Number: KE-0120050