di(3-Methylbutyl) (4R,5R)-2-[(2rs,6rs)-2,6,10-trimethylundecyl]-1,3-dioxolane-4,5-dicarboxylate

SpectraBase Compound ID	50fs6erF9M5
InChI	InChI=1S/C29H54O6/c1-20(2)11-9-12-23(7)13-10-14-24(8)19-25-34-26(28(30)32-17-15-21(3)4)27(35-25)29(31)33-18-16-22(5)6/h20-27H,9-19H2,1-8H3/t23?,24?,26-,27-/m1/s1
InChIKey	RETNHXYTVOSQQK-FHDGSSEWSA-N Google Search
Mol Weight	498.7 g/mol
Molecular Formula	C29H54O6
Exact Mass	498.392039 g/mol

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SpectraBase Spectrum ID	DpTZ9OB2aM5
Name	di(3-Methylbutyl) (4R,5R)-2-[(2rs,6rs)-2,6,10-trimethylundecyl]-1,3-dioxolane-4,5-dicarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	498.392039453 u
Formula	C29H54O6
InChI	InChI=1S/C29H54O6/c1-20(2)11-9-12-23(7)13-10-14-24(8)19-25-34-26(28(30)32-17-15-21(3)4)27(35-25)29(31)33-18-16-22(5)6/h20-27H,9-19H2,1-8H3/t23?,24?,26-,27-/m1/s1
InChIKey	RETNHXYTVOSQQK-FHDGSSEWSA-N
Molecular Weight	498.745 g/mol
SMILES	[C@]1([C@@](OC(O1)CC(CCCC(CCCC(C)C)C)C)(C(=O)OCCC(C)C)[H])(C(=O)OCCC(C)C)[H]