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(E)-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-3-methyl-2-pentenoic acid ethyl ester
SpectraBase Compound ID F2csMq7kHf6
InChI InChI=1S/C13H22O5/c1-4-16-13(15)7-9(2)5-6-12-11(14)8-17-10(3)18-12/h7,10-12,14H,4-6,8H2,1-3H3/b9-7+/t10-,11-,12+/m1/s1
InChIKey BTQCATDZRVFPMY-MHXNSRMTSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K0Yb7zbmg0
Name (E)-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-3-methyl-2-pentenoic acid ethyl ester
Alternate Name(s) (E)-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-3-methyl-pent-2-enoic acid ethyl ester Ethyl (E)-3-methyl-5-[(2R,4S,5R)-2-methyl-5-oxidanyl-1,3-dioxan-4-yl]pent-2-enoate Ethyl (E)-5-[(2R,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-3-methyl-pent-2-enoate
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Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-4-16-13(15)7-9(2)5-6-12-11(14)8-17-10(3)18-12/h7,10-12,14H,4-6,8H2,1-3H3/b9-7+/t10-,11-,12+/m1/s1
InChIKey BTQCATDZRVFPMY-MHXNSRMTSA-N
Molecular Weight 258.314 g/mol
SMILES O[C@]1([C@@](O[C@@](OC1)(C)[H])(CC\C(=C\C(=O)OCC)C)[H])[H]
SPLASH splash10-03di-0970000000-defa6d1e81bdd1dbc334
Source of Spectrum J-64-2431-14
Wiley ID 1529764