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3-ACETAMIDO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 7pSgqTTX0BE
InChI InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey VVGYLIJOPUUXJN-UHFFFAOYSA-N
Mol Weight 199.22 g/mol
Molecular Formula C8H9NO3S
Exact Mass 199.030314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HmiTvFlKMy
Name 3-ACETAMIDO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1978)
CAS Registry Number 22288-79-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3S
InChI InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey VVGYLIJOPUUXJN-UHFFFAOYSA-N
Molecular Weight 199.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-ACETAMIDO-, METHYL ESTER