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anti,anti-(2RS,3RS,4RS)-2,6-Dimethylpheny 2,4-dimethyl-3-hydroxy-4-(phenylsulfanyl)hexanoate
SpectraBase Compound ID 2hhLorOvZs1
InChI InChI=1S/C22H28O3S/c1-6-22(5,26-18-13-8-7-9-14-18)20(23)17(4)21(24)25-19-15(2)11-10-12-16(19)3/h7-14,17,20,23H,6H2,1-5H3/t17-,20+,22-/m0/s1
InChIKey CZQYBNFRDHPRSQ-WEYGHZABSA-N
Mol Weight 372.52 g/mol
Molecular Formula C22H28O3S
Exact Mass 372.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H86KE9uU1uk
Name anti,anti-(2RS,3RS,4RS)-2,6-Dimethylpheny 2,4-dimethyl-3-hydroxy-4-(phenylsulfanyl)hexanoate
Alternate Name(s) syn, anti-(2SR,3RS,4SR)-2,6-Dimethylpheny 2,4-dimethyl-3-hydroxy-4-(phenylsulfanyl)hexanoate anti,anti-(2R,3S,4R)-2,6-Dimethylphenyl-2,4-dimethyl-3-hydroxy-4-phenylsulfanyl-hexanoate (2,6-dimethylphenyl) (2R,3S,4R)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-hexanoate
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Formula C22H28O3S
InChI InChI=1S/C22H28O3S/c1-6-22(5,26-18-13-8-7-9-14-18)20(23)17(4)21(24)25-19-15(2)11-10-12-16(19)3/h7-14,17,20,23H,6H2,1-5H3/t17-,20+,22-/m0/s1
InChIKey CZQYBNFRDHPRSQ-WEYGHZABSA-N
Molecular Weight 372.523 g/mol
SMILES O[C@@]([C@@](Sc1ccccc1)(CC)C)([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-0229-0900000000-2aa90bdb3356f6755a94
Source of Spectrum KC-0-540-32(anti,anti)
Wiley ID 830031