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Methyl 3-hydroxy-2-methyl-2-(phenylthio)hexanoate
SpectraBase Compound ID 59sZKI4NLpo
InChI InChI=1S/C14H20O3S/c1-4-8-12(15)14(2,13(16)17-3)18-11-9-6-5-7-10-11/h5-7,9-10,12,15H,4,8H2,1-3H3
InChIKey YSNUYLISXJNSBS-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nkfcF5tzM
Name Methyl 3-hydroxy-2-methyl-2-(phenylthio)hexanoate
Alternate Name(s) Methyl 3-hydroxy-2-methyl-2-(phenylsulfanyl)hexanoate
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Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-4-8-12(15)14(2,13(16)17-3)18-11-9-6-5-7-10-11/h5-7,9-10,12,15H,4,8H2,1-3H3
InChIKey YSNUYLISXJNSBS-UHFFFAOYSA-N
Molecular Weight 268.371 g/mol
SMILES OC(C(C(=O)OC)(Sc1ccccc1)C)CCC
SPLASH splash10-0btj-3900000000-f47dab0925011934c72a
Source of Spectrum F-48-5352-9
Wiley ID 1271978