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2,4-Dimethoxy-3,6-dimethyl-5-(3-oxobutyl)benzenecarbothioic acid S-methyl ester
SpectraBase Compound ID GDweLZo9fsP
InChI InChI=1S/C16H22O4S/c1-9(17)7-8-12-10(2)13(16(18)21-6)15(20-5)11(3)14(12)19-4/h7-8H2,1-6H3
InChIKey NOIJRKPLLRLUNW-UHFFFAOYSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEjXyqo2h7z
Name 2,4-Dimethoxy-3,6-dimethyl-5-(3-oxobutyl)benzenecarbothioic acid S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-9(17)7-8-12-10(2)13(16(18)21-6)15(20-5)11(3)14(12)19-4/h7-8H2,1-6H3
InChIKey NOIJRKPLLRLUNW-UHFFFAOYSA-N
Molecular Weight 310.408 g/mol
SMILES c1(c(c(C)c(c(c1C)CCC(=O)C)OC)OC)C(=O)SC
SPLASH splash10-0006-1893000000-4b7c03d0f5ff7bb00efd
Source of Spectrum AT-40-5400-6
Synonyms 5-(3-ketobutyl)-2,4-dimethoxy-3,6-dimethyl-thiobenzoic acid S-methyl ester S-methyl 2,4-dimethoxy-3,6-dimethyl-5-(3-oxidanylidenebutyl)benzenecarbothioate S-methyl 2,4-dimethoxy-3,6-dimethyl-5-(3-oxobutyl)benzenecarbothioate
Wiley ID 854570