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2,2-Dimethylpropionic acid, 3-hydroxy-5-(4-methoxybenzylthio)pentyl ester
SpectraBase Compound ID KzzeCCfXXuD
InChI InChI=1S/C18H28O4S/c1-18(2,3)17(20)22-11-9-15(19)10-12-23-13-14-5-7-16(21-4)8-6-14/h5-8,15,19H,9-13H2,1-4H3
InChIKey WYMCBHDEGSROCY-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 4U8NvZrYzJl
Name 2,2-Dimethylpropionic acid, 3-hydroxy-5-(4-methoxybenzylthio)pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4S
InChI InChI=1S/C18H28O4S/c1-18(2,3)17(20)22-11-9-15(19)10-12-23-13-14-5-7-16(21-4)8-6-14/h5-8,15,19H,9-13H2,1-4H3
InChIKey WYMCBHDEGSROCY-UHFFFAOYSA-N
Molecular Weight 340.478 g/mol
SMILES OC(CCOC(C(C)(C)C)=O)CCSCc1ccc(cc1)OC
SPLASH splash10-00di-4900000000-07b73cf92396dbad8398
Synonyms 3-Hydroxy-5-[(4-methoxybenzyl)sulfanyl]pentyl pivalate 2,2-Dimethylpropanoic acid [3-hydroxy-5-[(4-methoxyphenyl)methylthio]pentyl] ester [3-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]pentyl] 2,2-dimethylpropanoate [5-[(4-methoxyphenyl)methylsulfanyl]-3-oxidanyl-pentyl] 2,2-dimethylpropanoate
Wiley ID 1483483