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(4R,5R)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis(4-chlorobenzyl) ester
SpectraBase Compound ID DjRX209ijWx
InChI InChI=1S/C31H40Cl2O6/c1-21(2)7-5-8-22(3)9-6-18-31(4)38-27(29(34)36-19-23-10-14-25(32)15-11-23)28(39-31)30(35)37-20-24-12-16-26(33)17-13-24/h10-17,21-22,27-28H,5-9,18-20H2,1-4H3/t22?,27-,28-/m1/s1
InChIKey PYDKDXZCULIDMO-KREQFDAOSA-N
Mol Weight 579.6 g/mol
Molecular Formula C31H40Cl2O6
Exact Mass 578.220194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYI7JQF5O0T
Name (4R,5R)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis(4-chlorobenzyl) ester
Alternate Name(s) (4R,5R)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid bis[(4-chlorophenyl)methyl] ester
CAS Registry Number 130678-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40Cl2O6
InChI InChI=1S/C31H40Cl2O6/c1-21(2)7-5-8-22(3)9-6-18-31(4)38-27(29(34)36-19-23-10-14-25(32)15-11-23)28(39-31)30(35)37-20-24-12-16-26(33)17-13-24/h10-17,21-22,27-28H,5-9,18-20H2,1-4H3/t22?,27-,28-/m1/s1
InChIKey PYDKDXZCULIDMO-KREQFDAOSA-N
Molecular Weight 579.561 g/mol
SMILES [C@]1([C@@](OC(O1)(CCCC(CCCC(C)C)C)C)(C(OCc1ccc(cc1)Cl)=O)[H])(C(OCc1ccc(cc1)Cl)=O)[H]
SPLASH splash10-004i-0900400000-fad64fc364b46ced0522
Source of Spectrum H-73-1101-19
Wiley ID 1408356