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4-chloro-3-nitrothiocarbanilic acid, S-(p-chlorophenyl) ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-chloro-3-nitrothiocarbanilic acid, S-(p-chlorophenyl) ester
SpectraBase Compound ID 46nXtFo4HJm
InChI InChI=1S/C13H8Cl2N2O3S/c14-8-1-4-10(5-2-8)21-13(18)16-9-3-6-11(15)12(7-9)17(19)20/h1-7H,(H,16,18)
InChIKey ISWVSZKLQIYPKJ-UHFFFAOYSA-N
Mol Weight 343.18 g/mol
Molecular Formula C13H8Cl2N2O3S
Exact Mass 341.963269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JS7bmijh1Zs
Name 4-CHLORO-3-NITROTHIOCARBANILIC ACID, S-(p-CHLOROPHENYL) ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8Cl2N2O3S
InChI InChI=1S/C13H8Cl2N2O3S/c14-8-1-4-10(5-2-8)21-13(18)16-9-3-6-11(15)12(7-9)17(19)20/h1-7H,(H,16,18)
InChIKey ISWVSZKLQIYPKJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 343.19
Solvent DMSO-d6; Reference=TMS; Temperature 297K