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 |