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5-tert-butyl-3-(2,3,3-trichloroacrylamido)-2-thiophenecarboxylic acid, methyl ester

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

5-tert-butyl-3-(2,3,3-trichloroacrylamido)-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID LCppXETakv1
InChI InChI=1S/C13H14Cl3NO3S/c1-13(2,3)7-5-6(9(21-7)12(19)20-4)17-11(18)8(14)10(15)16/h5H,1-4H3,(H,17,18)
InChIKey NQDBPFBQHBVKQB-UHFFFAOYSA-N
Mol Weight 370.68 g/mol
Molecular Formula C13H14Cl3NO3S
Exact Mass 368.975998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGqgxyBTF0q
Name 5-tert-BUTYL-3-(2,3,3-TRICHLOROACRYLAMIDO)-2-THIOPHENECARBOXYLICACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Cl3NO3S
InChI InChI=1S/C13H14Cl3NO3S/c1-13(2,3)7-5-6(9(21-7)12(19)20-4)17-11(18)8(14)10(15)16/h5H,1-4H3,(H,17,18)
InChIKey NQDBPFBQHBVKQB-UHFFFAOYSA-N
Melting Point 121-123C
Molecular Weight 370.68
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-(2,3,3-TRICHLOROACRYLAMIDO)-, METHYL ESTER