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(2S,3R,5R) Dimethyl 5-Ethyl-2,3-dimethyl-2-[(methylthio)methoxy]hexanedioate isomer
SpectraBase Compound ID H1AuTmsl7c2
InChI InChI=1S/C14H26O5S/c1-7-11(12(15)17-4)8-10(2)14(3,13(16)18-5)19-9-20-6/h10-11H,7-9H2,1-6H3/t10-,11-,14+/m1/s1
InChIKey JKQLDAKTBBQJAK-GYSYKLTISA-N
Mol Weight 306.42 g/mol
Molecular Formula C14H26O5S
Exact Mass 306.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ttbQYVF45h
Name (2S,3R,5R) Dimethyl 5-Ethyl-2,3-dimethyl-2-[(methylthio)methoxy]hexanedioate isomer
Alternate Name(s) Dimethyl (2S,3R,5R)-5-ethyl-2,3-dimethyl-2-[(methylsulfanyl)methoxy]hexanedioate Dimethyl 5-Ethyl-2,3-dimethyl-2-[(methylthio)methoxy]hexanedioate isomer
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Formula C14H26O5S
InChI InChI=1S/C14H26O5S/c1-7-11(12(15)17-4)8-10(2)14(3,13(16)18-5)19-9-20-6/h10-11H,7-9H2,1-6H3/t10-,11-,14+/m1/s1
InChIKey JKQLDAKTBBQJAK-GYSYKLTISA-N
Molecular Weight 306.417 g/mol
SMILES [C@](C(=O)OC)([C@@](C[C@](C(=O)OC)(CC)[H])(C)[H])(OCSC)C
SPLASH splash10-05nb-0940000000-908ec4cbf77d1f73bb79
Source of Spectrum AJ-67-3098-12
Wiley ID 772837