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di-3-Methyl-4-octyl phthalate

View entire compound with spectra: 1 NMR

di-3-Methyl-4-octyl phthalate
SpectraBase Compound ID hyy5rZf2qw
InChI InChI=1S/C26H42O4/c1-7-11-17-23(19(5)9-3)29-25(27)21-15-13-14-16-22(21)26(28)30-24(18-12-8-2)20(6)10-4/h13-16,19-20,23-24H,7-12,17-18H2,1-6H3
InChIKey OVEPALFGHIUZCU-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cKgDxGEz52
Name di-3-Methyl-4-octyl phthalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-7-11-17-23(19(5)9-3)29-25(27)21-15-13-14-16-22(21)26(28)30-24(18-12-8-2)20(6)10-4/h13-16,19-20,23-24H,7-12,17-18H2,1-6H3
InChIKey OVEPALFGHIUZCU-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1(=C(C=CC=C1)C(OC(C(C)CC)CCCC)=O)C(OC(CCCC)C(CC)C)=O