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5-tert-butyl-{[(p-chlorophenyl)thio]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID INOl13DPbsm
InChI InChI=1S/C17H19ClO2S2/c1-17(2,3)14-9-11(15(22-14)16(19)20-4)10-21-13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey GAJRAUUZLXCYDQ-UHFFFAOYSA-N
Mol Weight 354.91 g/mol
Molecular Formula C17H19ClO2S2
Exact Mass 354.0515 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fZD4WD0GMe
Name 5-tert-butyl-{[(p-chlorophenyl)thio]methyl}-2-thiophenecarboxylic acid, methyl ester
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Formula C17H19ClO2S2
InChI InChI=1S/C17H19ClO2S2/c1-17(2,3)14-9-11(15(22-14)16(19)20-4)10-21-13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey GAJRAUUZLXCYDQ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 48861M
Solvent CDCl3