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5-tert-butyl-3-[(phenylthio)methyl]-2-thiophenecarboxylic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

5-tert-butyl-3-[(phenylthio)methyl]-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 1kVD9I03vFA
InChI InChI=1S/C17H20O2S2/c1-17(2,3)14-10-12(15(21-14)16(18)19-4)11-20-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKey LHGQBXCWCGFSJD-UHFFFAOYSA-N
Mol Weight 320.47 g/mol
Molecular Formula C17H20O2S2
Exact Mass 320.090472 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2r6EWi8Ywqt
Name 5-tert-BUTYL-3-[(PHENYLTHIO)METHYL]-2-THIOPHENECARBOXYLIC ACID,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 C17H20O2S2
InChI InChI=1S/C17H20O2S2/c1-17(2,3)14-10-12(15(21-14)16(18)19-4)11-20-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3
InChIKey LHGQBXCWCGFSJD-UHFFFAOYSA-N
Melting Point 48-50C
Molecular Weight 320.48
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-//PHENYLTHIO/METHYL/-, METHYL ESTER