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Methyl 6-(t-butylsulfanyl)-3,5-dihydroxy-7-phenylheptanoate
SpectraBase Compound ID 8uffGphOFya
InChI InChI=1S/C18H28O4S/c1-18(2,3)23-16(10-13-8-6-5-7-9-13)15(20)11-14(19)12-17(21)22-4/h5-9,14-16,19-20H,10-12H2,1-4H3
InChIKey FRKHZYZFRHCALN-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 BvsZbFG8Uy9
Name Methyl 6-(t-butylsulfanyl)-3,5-dihydroxy-7-phenylheptanoate
Alternate Name(s) Methyl 6-S-tert-butyl-2,4,7-trideoxy-7-phenyl-6-thioheptonate
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Formula C18H28O4S
InChI InChI=1S/C18H28O4S/c1-18(2,3)23-16(10-13-8-6-5-7-9-13)15(20)11-14(19)12-17(21)22-4/h5-9,14-16,19-20H,10-12H2,1-4H3
InChIKey FRKHZYZFRHCALN-UHFFFAOYSA-N
Molecular Weight 340.478 g/mol
SMILES OC(CC(CC(=O)OC)O)C(Cc1ccccc1)SC(C)(C)C
SPLASH splash10-0a4u-8920000000-16e9a5b2ed18eebe3a53
Source of Spectrum G-68-998-11
Wiley ID 1520414