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3,5-Dimethoxy-2,2-dimethyl-6-(p-tolylthio)hexanoic acid methyl ester
SpectraBase Compound ID 4hQakc1L0UG
InChI InChI=1S/C18H28O4S/c1-13-7-9-15(10-8-13)23-12-14(20-4)11-16(21-5)18(2,3)17(19)22-6/h7-10,14,16H,11-12H2,1-6H3
InChIKey KKQWLTBGTUKVMF-UHFFFAOYSA-N
Mol Weight 340.48 g/mol
Molecular Formula C18H28O4S
Exact Mass 340.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5wpqz7c1s0
Name 3,5-Dimethoxy-2,2-dimethyl-6-(p-tolylthio)hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4S
InChI InChI=1S/C18H28O4S/c1-13-7-9-15(10-8-13)23-12-14(20-4)11-16(21-5)18(2,3)17(19)22-6/h7-10,14,16H,11-12H2,1-6H3
InChIKey KKQWLTBGTUKVMF-UHFFFAOYSA-N
Molecular Weight 340.478 g/mol
SMILES C(C(=O)OC)(C(CC(CSc1ccc(cc1)C)OC)OC)(C)C
SPLASH splash10-00dj-0900000000-491814a7cfe6e401aa3e
Source of Spectrum QF-47-900-9
Synonyms 3,5-Dimethoxy-2,2-dimethyl-6-[(4-methylphenyl)thio]hexanoic acid methyl ester Methyl 3,5-dimethoxy-2,2-dimethyl-6-(4-methylphenyl)sulfanyl-hexanoate Methyl 3,5-dimethoxy-2,2-dimethyl-6-(p-tolylsulfanyl)hexanoate
Wiley ID 833757