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Phthalic acid, bis(3,5,5-trimethylhexyl)ester
SpectraBase Compound ID Bl2kW9ZRoCA
InChI InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
InChIKey GDJOUZYAIHWDCA-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxopG5irmB6
Name 1,2-Benzenedicarboxylic acid, bis(3,5,5-trimethylhexyl) ester
Alternate Name(s) benzene-1,2-dicarboxylic acid bis(3,5,5-trimethylhexyl) ester bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate bis(3,5,5-trimethylhexyl) phthalate
CAS Registry Number 14103-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
InChIKey GDJOUZYAIHWDCA-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CC(CCOC(c1ccccc1C(=O)OCCC(C)CC(C)(C)C)=O)CC(C)(C)C
SPLASH splash10-0ab9-9500000000-b38579e2202ca768064a
Source of Spectrum IC-1141-0-0
Wiley ID 1377402