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(2R,4R,6R)-2,4-diheptyl-6-phenyl-1,3-dioxane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R,4R,6R)-2,4-diheptyl-6-phenyl-1,3-dioxane
SpectraBase Compound ID IunEGh3PPOG
InChI InChI=1S/C24H40O2/c1-3-5-7-9-14-18-22-20-23(21-16-12-11-13-17-21)26-24(25-22)19-15-10-8-6-4-2/h11-13,16-17,22-24H,3-10,14-15,18-20H2,1-2H3/t22-,23-,24-/m1/s1
InChIKey OOWCTDQQNCJHGQ-WXFUMESZSA-N
Mol Weight 360.6 g/mol
Molecular Formula C24H40O2
Exact Mass 360.302831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3DAwjq3DlA
Name (2R,4R,6R)-2,4-Diheptyl-6-phenyl-1,3-dioxane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.302830526 u
Formula C24H40O2
InChI InChI=1S/C24H40O2/c1-3-5-7-9-14-18-22-20-23(21-16-12-11-13-17-21)26-24(25-22)19-15-10-8-6-4-2/h11-13,16-17,22-24H,3-10,14-15,18-20H2,1-2H3/t22-,23-,24-/m1/s1
InChIKey OOWCTDQQNCJHGQ-WXFUMESZSA-N
Molecular Weight 360.582 g/mol
SMILES [C@@]1(O[C@@](O[C@@](C1)(CCCCCCC)[H])(CCCCCCC)[H])(C1=CC=CC=C1)[H]