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Ethyl c-6-heptyl-r-2,5,5-trimethyl-1,3-dioxane-c-4-acetate
SpectraBase Compound ID 39TVKVZ5bQI
InChI InChI=1S/C18H34O4/c1-6-8-9-10-11-12-15-18(4,5)16(22-14(3)21-15)13-17(19)20-7-2/h14-16H,6-13H2,1-5H3/t14-,15-,16+/m1/s1
InChIKey YWYYHEHDSUOARL-OAGGEKHMSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 245qvSPr3EE
Name Ethyl c-6-heptyl-r-2,5,5-trimethyl-1,3-dioxane-c-4-acetate
Alternate Name(s) Ethyl[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetate Ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]acetate Ethyl 2-[(2R,4S,6R)-6-heptyl-2,5,5-trimethyl-1,3-dioxan-4-yl]ethanoate
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Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-6-8-9-10-11-12-15-18(4,5)16(22-14(3)21-15)13-17(19)20-7-2/h14-16H,6-13H2,1-5H3/t14-,15-,16+/m1/s1
InChIKey YWYYHEHDSUOARL-OAGGEKHMSA-N
Molecular Weight 314.466 g/mol
SMILES [C@]1(C([C@@](CCCCCCC)(O[C@](O1)(C)[H])[H])(C)C)(CC(=O)OCC)[H]
SPLASH splash10-00kf-6900000000-45a4dcbd70b09f31c2d0
Source of Spectrum AJ-63-1913-31
Wiley ID 1315202