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Bis(2-isopropyl-5-methylcyclohexyl) isophthalate
SpectraBase Compound ID 5izLYI72GS3
InChI InChI=1S/C28H42O4/c1-17(2)23-12-10-19(5)14-25(23)31-27(29)21-8-7-9-22(16-21)28(30)32-26-15-20(6)11-13-24(26)18(3)4/h7-9,16-20,23-26H,10-15H2,1-6H3
InChIKey CDXGPFYEXRGJGH-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Bl3VgleK0
Name Bis(2-isopropyl-5-methylcyclohexyl) isophthalate
CAS Registry Number 69952-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-17(2)23-12-10-19(5)14-25(23)31-27(29)21-8-7-9-22(16-21)28(30)32-26-15-20(6)11-13-24(26)18(3)4/h7-9,16-20,23-26H,10-15H2,1-6H3
InChIKey CDXGPFYEXRGJGH-UHFFFAOYSA-N
Molecular Weight 442.640 g/mol
SMILES CC(C1C(OC(c2cccc(c2)C(=O)OC2C(CCC(C2)C)C(C)C)=O)CC(CC1)C)C
SPLASH splash10-001a-8900000000-5469578c78102a7c4a04
Synonyms benzene-1,3-dicarboxylic acid bis(2-isopropyl-5-methyl-cyclohexyl) ester benzene-1,3-dicarboxylic acid bis(5-methyl-2-propan-2-ylcyclohexyl) ester bis(2-isopropyl-5-methyl-cyclohexyl) benzene-1,3-dicarboxylate bis(5-methyl-2-propan-2-yl-cyclohexyl) benzene-1,3-dicarboxylate Isophthalic acid, di-(-)-menthyl ester
Wiley ID 1496262