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1,3-Dioxane, 4-[(octadecyloxy)methyl]-2-phenyl-, (2S-cis)-

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1,3-Dioxane, 4-[(octadecyloxy)methyl]-2-phenyl-, (2S-cis)-
SpectraBase Compound ID 19RKOqNZePR
InChI InChI=1S/C29H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-30-26-28-23-25-31-29(32-28)27-21-18-17-19-22-27/h17-19,21-22,28-29H,2-16,20,23-26H2,1H3/t28-,29-/m0/s1
InChIKey JWSSUFFOAYFNLX-VMPREFPWSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLipxhAQK0U
Name 1,3-Dioxane, 4-[(octadecyloxy)methyl]-2-phenyl-, (2S-cis)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.375995467 u
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-30-26-28-23-25-31-29(32-28)27-21-18-17-19-22-27/h17-19,21-22,28-29H,2-16,20,23-26H2,1H3/t28-,29-/m0/s1
InChIKey JWSSUFFOAYFNLX-VMPREFPWSA-N
Molecular Weight 446.716 g/mol
SMILES [C@@]1(O[C@](COCCCCCCCCCCCCCCCCCC)(CCO1)[H])(C1=CC=CC=C1)[H]