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3-pyridinecarboxylic acid, 2,5,6-trichloro-4-[(1-pyrrolidinylcarbonothioyl)thio]-, ethyl ester
SpectraBase Compound ID 7OxIgDhBzIM
InChI InChI=1S/C13H13Cl3N2O2S2/c1-2-20-12(19)7-9(8(14)11(16)17-10(7)15)22-13(21)18-5-3-4-6-18/h2-6H2,1H3
InChIKey HAEVXMHZRYKDIX-UHFFFAOYSA-N
Mol Weight 399.74 g/mol
Molecular Formula C13H13Cl3N2O2S2
Exact Mass 397.948403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 82nlnlGOtgO
Name 3-pyridinecarboxylic acid, 2,5,6-trichloro-4-[(1-pyrrolidinylcarbonothioyl)thio]-, 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 397.948403113 u
Formula C13H13Cl3N2O2S2
InChI InChI=1S/C13H13Cl3N2O2S2/c1-2-20-12(19)7-9(8(14)11(16)17-10(7)15)22-13(21)18-5-3-4-6-18/h2-6H2,1H3
InChIKey HAEVXMHZRYKDIX-UHFFFAOYSA-N
Molecular Weight 399.738 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15874
Solvent DMSO-d6
Source Vendor ID: NMR/10301472; Lab Info: SIP; Lab Number: SIP-0029