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3-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid methyl ester
SpectraBase Compound ID Auh9mUHY7ph
InChI InChI=1S/C12H22O4/c1-5-9-8-15-12(2,3)16-10(9)6-7-11(13)14-4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKey QOGPSDBHDICSIO-ZJUUUORDSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 597Fxt18N6
Name 3-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid methyl ester
Alternate Name(s) 3-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propionic acid methyl ester Methyl 3-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]propanoate
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Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-5-9-8-15-12(2,3)16-10(9)6-7-11(13)14-4/h9-10H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKey QOGPSDBHDICSIO-ZJUUUORDSA-N
Molecular Weight 230.304 g/mol
SMILES C1(O[C@]([C@@](CO1)(CC)[H])(CCC(=O)OC)[H])(C)C
SPLASH splash10-082c-0900000000-a7d57c4a365e1c2109bf
Source of Spectrum C-118-554-18
Wiley ID 759508