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3,5-bis(chloranyl)-6-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-pyridine-2-carbonitrile
SpectraBase Compound ID 2g4RWZrwieJ
InChI InChI=1S/C20H22Cl2N2OS/c1-19(2,3)12-7-11(8-13(17(12)25)20(4,5)6)26-18-15(22)9-14(21)16(10-23)24-18/h7-9,25H,1-6H3
InChIKey BSRJOHYEZKLQQI-UHFFFAOYSA-N
Mol Weight 409.38 g/mol
Molecular Formula C20H22Cl2N2OS
Exact Mass 408.08299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lJyR664zGF
Name 2-pyridinecarbonitrile, 6-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-3,5-dichloro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.082989909 u
Formula C20H22Cl2N2OS
InChI InChI=1S/C20H22Cl2N2OS/c1-19(2,3)12-7-11(8-13(17(12)25)20(4,5)6)26-18-15(22)9-14(21)16(10-23)24-18/h7-9,25H,1-6H3
InChIKey BSRJOHYEZKLQQI-UHFFFAOYSA-N
Molecular Weight 409.375 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15380
Solvent DMSO-d6
Source Vendor ID: NMR/10301523; Lab Info: SIP; Lab Number: SIP-0084