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1,3-Dioxane, 5-(octadecyloxy)-2-phenyl-, cis-

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1,3-Dioxane, 5-(octadecyloxy)-2-phenyl-, cis-
SpectraBase Compound ID GEt6CzZjIui
InChI InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27-24-30-28(31-25-27)26-21-18-17-19-22-26/h17-19,21-22,27-28H,2-16,20,23-25H2,1H3/t27-,28+
InChIKey UZOGFFPAZVQLHL-HNRBIFIRSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3fpsGv1Dec
Name 1,3-Dioxane, 5-(octadecyloxy)-2-phenyl-, cis-
Comments Computed using HOSE algorithm
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Exact Mass 432.360345403 u
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27-24-30-28(31-25-27)26-21-18-17-19-22-26/h17-19,21-22,27-28H,2-16,20,23-25H2,1H3/t27-,28+
InChIKey UZOGFFPAZVQLHL-HNRBIFIRSA-N
Molecular Weight 432.689 g/mol
SMILES [C@]1(OC[C@](CO1)(OCCCCCCCCCCCCCCCCCC)[H])(C1=CC=CC=C1)[H]