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Isophthalic acid, 4-methylpent-2-yl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-methylpent-2-yl nonyl ester
SpectraBase Compound ID 7Ru6X1TSFfN
InChI InChI=1S/C23H36O4/c1-5-6-7-8-9-10-11-15-26-22(24)20-13-12-14-21(17-20)23(25)27-19(4)16-18(2)3/h12-14,17-19H,5-11,15-16H2,1-4H3
InChIKey QNNOLMNRSJTBCY-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1SwgQWc78Z
Name Isophthalic acid, 4-methylpent-2-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-6-7-8-9-10-11-15-26-22(24)20-13-12-14-21(17-20)23(25)27-19(4)16-18(2)3/h12-14,17-19H,5-11,15-16H2,1-4H3
InChIKey QNNOLMNRSJTBCY-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCC)C(OC(CC(C)C)C)=O