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Phthalic acid, 4-methylhept-3-yl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl nonyl ester
SpectraBase Compound ID JrWMNtUwYCk
InChI InChI=1S/C25H40O4/c1-5-8-9-10-11-12-15-19-28-24(26)21-17-13-14-18-22(21)25(27)29-23(7-3)20(4)16-6-2/h13-14,17-18,20,23H,5-12,15-16,19H2,1-4H3
InChIKey LXDILMPDQZANJE-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xW72HRPcw6
Name Phthalic acid, 4-methylhept-3-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-8-9-10-11-12-15-19-28-24(26)21-17-13-14-18-22(21)25(27)29-23(7-3)20(4)16-6-2/h13-14,17-18,20,23H,5-12,15-16,19H2,1-4H3
InChIKey LXDILMPDQZANJE-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCC)=O