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2-(thiocarboxy)-a,a,3,5-tetramethylhydrocinamic acid, S-(p-chlorophenyl)ester
SpectraBase Compound ID DKd4laxg14g
InChI InChI=1S/C20H21ClO3S/c1-12-9-13(2)17(14(10-12)11-20(3,4)19(23)24)18(22)25-16-7-5-15(21)6-8-16/h5-10H,11H2,1-4H3,(H,23,24)
InChIKey UEIYYIDGVFOFEI-UHFFFAOYSA-N
Mol Weight 376.9 g/mol
Molecular Formula C20H21ClO3S
Exact Mass 376.089993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtbLKvW36Do
Name 2-(THIOCARBOXY)-alpha,alpha,3,5-TETRAMETHYLHYDROCINNAMIC ACID,S-(p-CHLOROPHENYL) ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO3S
InChI InChI=1S/C20H21ClO3S/c1-12-9-13(2)17(14(10-12)11-20(3,4)19(23)24)18(22)25-16-7-5-15(21)6-8-16/h5-10H,11H2,1-4H3,(H,23,24)
InChIKey UEIYYIDGVFOFEI-UHFFFAOYSA-N
Melting Point 165C
Molecular Weight 376.91
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HYDROCINNAMIC ACID, 2-/THIO- CARBOXY/-A,A,3,5-TETRAMETHYL-, S-/P-CHLOROPHENYL/ ESTER