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(2,3,4,5,6-Pentamethyl-benzylthio)-acetic acid, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 UV-Vis

(2,3,4,5,6-Pentamethyl-benzylthio)-acetic acid, ethyl ester
SpectraBase Compound ID BiCnbYc0DyU
InChI InChI=1S/C16H24O2S/c1-7-18-16(17)9-19-8-15-13(5)11(3)10(2)12(4)14(15)6/h7-9H2,1-6H3
InChIKey PSAFPCBCADWQFY-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5Cd1JyamTo
Name [(2,3,4,5,6-PENTAMETHYLBENZYL)THIO]ACETIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-7-18-16(17)9-19-8-15-13(5)11(3)10(2)12(4)14(15)6/h7-9H2,1-6H3
InChIKey PSAFPCBCADWQFY-UHFFFAOYSA-N
Melting Point 62-63C
Molecular Weight 280.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, //2,3,4,5,6-PENTA- METHYLBENZYL/THIO/-, ETHYL ESTER