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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 4B0ydC3mOO3
Name 2,2-DIMETHYLPROPIONIC ACID, 3-HYDROXY-5-(4-METHOXY-BENZYLSULFANYL)PENTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 340.1701
SMILES OC(CCSCc1ccc(OC)cc1)CCOC(=O)C(C)(C)C
SPLASH splash10-00di-4900000000-dba700a23d3b3dbcb431
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany