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thio-3,4,5-trimethoxybenzoic acid, S-(2,3,4,5,6-pentamethylbenzyl)ester

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

thio-3,4,5-trimethoxybenzoic acid, S-(2,3,4,5,6-pentamethylbenzyl)ester
SpectraBase Compound ID BlzuO9Scz8T
InChI InChI=1S/C22H28O4S/c1-12-13(2)15(4)18(16(5)14(12)3)11-27-22(23)17-9-19(24-6)21(26-8)20(10-17)25-7/h9-10H,11H2,1-8H3
InChIKey VDHIMTBXDAIWQL-UHFFFAOYSA-N
Mol Weight 388.52 g/mol
Molecular Formula C22H28O4S
Exact Mass 388.170831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A4lF6BSIMC
Name THIO-3,4,5-TRIMETHOXYBENZOIC ACID, S-(2,3,4,5,6-PENTAMETHYLBENZYL) 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 C22H28O4S
InChI InChI=1S/C22H28O4S/c1-12-13(2)15(4)18(16(5)14(12)3)11-27-22(23)17-9-19(24-6)21(26-8)20(10-17)25-7/h9-10H,11H2,1-8H3
InChIKey VDHIMTBXDAIWQL-UHFFFAOYSA-N
Melting Point 149-151C
Molecular Weight 388.53
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, THIO-3,4,5-TRIMETHOXY-, S-/2,3,4,5,6-PENTAMETHYLBENZYL/ ESTER