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(4R,5R)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis(phenylmethyl) ester

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(4R,5R)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis(phenylmethyl) ester
SpectraBase Compound ID FN9aKCId7QT
InChI InChI=1S/C31H42O6/c1-23(2)13-11-14-24(3)15-12-20-31(4)36-27(29(32)34-21-25-16-7-5-8-17-25)28(37-31)30(33)35-22-26-18-9-6-10-19-26/h5-10,16-19,23-24,27-28H,11-15,20-22H2,1-4H3/t24?,27-,28-/m1/s1
InChIKey HAGMFVFCUMAOGQ-KUOLHFIUSA-N
Mol Weight 510.7 g/mol
Molecular Formula C31H42O6
Exact Mass 510.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HK37eKUeULm
Name (4R,5R)-2-(4,8-Dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis(phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.298139066 u
Formula C31H42O6
InChI InChI=1S/C31H42O6/c1-23(2)13-11-14-24(3)15-12-20-31(4)36-27(29(32)34-21-25-16-7-5-8-17-25)28(37-31)30(33)35-22-26-18-9-6-10-19-26/h5-10,16-19,23-24,27-28H,11-15,20-22H2,1-4H3/t24?,27-,28-/m1/s1
InChIKey HAGMFVFCUMAOGQ-KUOLHFIUSA-N
Molecular Weight 510.671 g/mol
SMILES [C@]1([C@@](OC(O1)(CCCC(CCCC(C)C)C)C)(C(OCC=1C=CC=CC1)=O)[H])(C(OCC=1C=CC=CC1)=O)[H]