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Methyl 6-(t-butylsulfanyl)-5-hydroxy-7-phenyl-3-oxoheptanoate
SpectraBase Compound ID EbTBMZnVhrS
InChI InChI=1S/C18H26O4S/c1-18(2,3)23-16(10-13-8-6-5-7-9-13)15(20)11-14(19)12-17(21)22-4/h5-9,15-16,20H,10-12H2,1-4H3
InChIKey PNQLJERDUYQBHK-UHFFFAOYSA-N
Mol Weight 338.46 g/mol
Molecular Formula C18H26O4S
Exact Mass 338.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sLqEJLBWwl
Name Methyl 6-(t-butylsulfanyl)-5-hydroxy-7-phenyl-3-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4S
InChI InChI=1S/C18H26O4S/c1-18(2,3)23-16(10-13-8-6-5-7-9-13)15(20)11-14(19)12-17(21)22-4/h5-9,15-16,20H,10-12H2,1-4H3
InChIKey PNQLJERDUYQBHK-UHFFFAOYSA-N
Molecular Weight 338.462 g/mol
SMILES OC(CC(CC(=O)OC)=O)C(Cc1ccccc1)SC(C)(C)C
SPLASH splash10-0abl-5900000000-094d7f6bade1fe7b3eb5
Source of Spectrum G-68-994-10
Synonyms Methyl 6-(tert-butylsulfanyl)-5-hydroxy-3-oxo-7-phenylheptanoate
Wiley ID 1520423