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(2R,4R,6R)-1,2-bis[(2',4',6'-Trimethyloctyl)oxy]benzene

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(2R,4R,6R)-1,2-bis[(2',4',6'-Trimethyloctyl)oxy]benzene
SpectraBase Compound ID AJhBir1qhQA
InChI InChI=1S/C28H50O2/c1-9-21(3)15-23(5)17-25(7)19-29-27-13-11-12-14-28(27)30-20-26(8)18-24(6)16-22(4)10-2/h11-14,21-26H,9-10,15-20H2,1-8H3/t21-,22-,23-,24-,25-,26-/m1/s1
InChIKey XUAGJBVHMSNRLB-KNWPELBISA-N
Mol Weight 418.7 g/mol
Molecular Formula C28H50O2
Exact Mass 418.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kd8ShrqiobO
Name (2R,4R,6R)-1,2-bis[(2',4',6'-Trimethyloctyl)oxy]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.381080848 u
Formula C28H50O2
InChI InChI=1S/C28H50O2/c1-9-21(3)15-23(5)17-25(7)19-29-27-13-11-12-14-28(27)30-20-26(8)18-24(6)16-22(4)10-2/h11-14,21-26H,9-10,15-20H2,1-8H3/t21-,22-,23-,24-,25-,26-/m1/s1
InChIKey XUAGJBVHMSNRLB-KNWPELBISA-N
Molecular Weight 418.706 g/mol
SMILES C=1(OC[C@@](C[C@@](C[C@@](CC)(C)[H])(C)[H])(C)[H])C(OC[C@@](C[C@@](C[C@@](CC)(C)[H])(C)[H])(C)[H])=CC=CC1