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thio-2,4,5-trichlorocarbanilic acid,S-butyl ester

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thio-2,4,5-trichlorocarbanilic acid,S-butyl ester
SpectraBase Compound ID 3SsdnkZRgNi
InChI InChI=1S/C11H12Cl3NOS/c1-2-3-4-17-11(16)15-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKey NQTKVRXFMKITJQ-UHFFFAOYSA-N
Mol Weight 312.64 g/mol
Molecular Formula C11H12Cl3NOS
Exact Mass 310.970518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FC2t11VXKnY
Name THIO-2,4,5-TRICHLOROCARBANILIC ACID, S-BUTYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12Cl3NOS
InChI InChI=1S/C11H12Cl3NOS/c1-2-3-4-17-11(16)15-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKey NQTKVRXFMKITJQ-UHFFFAOYSA-N
Molecular Weight 312.65
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CARBANILIC ACID, THIO-2,4,5-TRICHLORO-, S-BUTYL ESTER