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5-tert-butyl-3-{[(2-pyridyl)thio]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID HDjozep9qQJ
InChI InChI=1S/C16H19NO2S2/c1-16(2,3)12-9-11(14(21-12)15(18)19-4)10-20-13-7-5-6-8-17-13/h5-9H,10H2,1-4H3
InChIKey MZSPMOPUMUZHQZ-UHFFFAOYSA-N
Mol Weight 321.45 g/mol
Molecular Formula C16H19NO2S2
Exact Mass 321.085721 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KSc0jTvqovM
Name 5-tert-BUTYL-3-{[(2-PYRIDYL)THIO]METHYL}-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 C16H19NO2S2
InChI InChI=1S/C16H19NO2S2/c1-16(2,3)12-9-11(14(21-12)15(18)19-4)10-20-13-7-5-6-8-17-13/h5-9H,10H2,1-4H3
InChIKey MZSPMOPUMUZHQZ-UHFFFAOYSA-N
Melting Point 70-72C
Molecular Weight 321.46
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-///2-PYRIDYL/THIO/METHYL/-, METHYL ESTER