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Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester
SpectraBase Compound ID JKCPWn4RXeA
InChI InChI=1S/C25H32O4/c1-17(2)11-10-16-28-23(26)19-13-7-8-14-20(19)24(27)29-22-18(3)12-9-15-21(22)25(4,5)6/h7-9,12-15,17H,10-11,16H2,1-6H3
InChIKey YNRWOVREAWBHCV-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Tvndcb6AMz
Name Phthalic acid, isohexyl 2-tert-butyl-6-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-17(2)11-10-16-28-23(26)19-13-7-8-14-20(19)24(27)29-22-18(3)12-9-15-21(22)25(4,5)6/h7-9,12-15,17H,10-11,16H2,1-6H3
InChIKey YNRWOVREAWBHCV-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCC(C)C)C(=O)OC1=C(C=CC=C1C(C)(C)C)C