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2-pyridinecarboxylic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-3,5,6-trichloro-, ethyl ester
SpectraBase Compound ID GK24KNLKX4b
InChI InChI=1S/C22H26Cl3NO3S/c1-8-29-20(28)16-14(23)18(15(24)19(25)26-16)30-11-9-12(21(2,3)4)17(27)13(10-11)22(5,6)7/h9-10,27H,8H2,1-7H3
InChIKey VEAKGYYIOGQIQD-UHFFFAOYSA-N
Mol Weight 490.87 g/mol
Molecular Formula C22H26Cl3NO3S
Exact Mass 489.069898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6n9yTmiTMbn
Name 2-pyridinecarboxylic acid, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-3,5,6-trichloro-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.069897972 u
Formula C22H26Cl3NO3S
InChI InChI=1S/C22H26Cl3NO3S/c1-8-29-20(28)16-14(23)18(15(24)19(25)26-16)30-11-9-12(21(2,3)4)17(27)13(10-11)22(5,6)7/h9-10,27H,8H2,1-7H3
InChIKey VEAKGYYIOGQIQD-UHFFFAOYSA-N
Molecular Weight 490.873 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16000
Solvent DMSO-d6
Source Vendor ID: NMR/10301521; Lab Info: SIP; Lab Number: SIP-0082