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(2,6-dimethylphenyl) (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-propanoate
SpectraBase Compound ID FoXRe7pHYVO
InChI InChI=1S/C25H32O4S/c1-17-9-8-10-18(2)22(17)29-24(27)19(3)23(26)25(15-6-5-7-16-25)30-21-13-11-20(28-4)12-14-21/h8-14,19,23,26H,5-7,15-16H2,1-4H3/t19-,23+/m0/s1
InChIKey OYEPOPZLQCHSSJ-WMZHIEFXSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H32O4S
Exact Mass 428.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoBq3ws11b0
Name (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-propanoate
Alternate Name(s) (2,6-dimethylphenyl) (2S,3R)-3-[1-(4-methoxyphenyl)sulfanylcyclohexyl]-2-methyl-3-oxidanyl-propanoate (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methyl-propionic acid (2,6-dimethylphenyl) ester (2S,3R)-3-hydroxy-3-[1-[(4-methoxyphenyl)thio]cyclohexyl]-2-methylpropanoic acid (2,6-dimethylphenyl) ester
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Formula C25H32O4S
InChI InChI=1S/C25H32O4S/c1-17-9-8-10-18(2)22(17)29-24(27)19(3)23(26)25(15-6-5-7-16-25)30-21-13-11-20(28-4)12-14-21/h8-14,19,23,26H,5-7,15-16H2,1-4H3/t19-,23+/m0/s1
InChIKey OYEPOPZLQCHSSJ-WMZHIEFXSA-N
Molecular Weight 428.587 g/mol
SMILES O[C@@](C1(Sc2ccc(cc2)OC)CCCCC1)([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-00dl-0920000000-b28ced26b9cb5e47a6b8
Source of Spectrum KC-0-369-29
Wiley ID 785044