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(2S,4S,5R)-(E)-2-Methyl-5-hydroxy-4-((3-methyl-2-pentenoic acid ethyl ester)-5-yl)-1,3-dioxane
SpectraBase Compound ID AJT6z5qX6od
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-/m0/s1
InChIKey BTQCATDZRVFPMY-YQPCXWBTSA-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 JMKbrzvr0z7
Name (2S,4S,5R)-(E)-2-Methyl-5-hydroxy-4-((3-methyl-2-pentenoic acid ethyl ester)-5-yl)-1,3-dioxane
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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-/m0/s1
InChIKey BTQCATDZRVFPMY-YQPCXWBTSA-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 splash10-0a4i-0090000000-f1410074a32324e02987
Source of Spectrum J-64-2431-21
Synonyms Ethyl (2E)-5-[(2S,4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]-3-methyl-2-pentenoate
Wiley ID 1529760