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Phthalic acid, bis(3,5,5-trimethylhexyl)ester

View entire compound with spectra: 3 NMR, 1 FTIR, 1 MS (GC), and 2 Near IR

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D4wAsrRunsL
Name PHTHALIC ACID, BIS(3,5,5-TRIMETHYLHEXYL) ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 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
Instrument Name BRUKER AC-300
Molecular Weight 418.62
Solvent CDCl3; Reference=TMS; Temperature 297K