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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbUKdtU2G0x
Name 1,3-Dioxane, 4-[(octadecyloxy)methyl]-2-phenyl-, (2S-cis)-
CAS Registry Number 111004-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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])(c1ccccc1)[H]
SPLASH splash10-03di-0900300000-b083caef6512e053a8de
Source of Spectrum H-69-1867-13
Synonyms (2S,4S)-4-[(octadecyloxy)methyl]-2-phenyl-1,3-dioxane Octadecyl[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methyl ether
Wiley ID 1386818