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Isophthalic acid, 4-isopropylphenyl nonyl ester
SpectraBase Compound ID 5Zt6LEkgptF
InChI InChI=1S/C26H34O4/c1-4-5-6-7-8-9-10-18-29-25(27)22-12-11-13-23(19-22)26(28)30-24-16-14-21(15-17-24)20(2)3/h11-17,19-20H,4-10,18H2,1-3H3
InChIKey MCOKYPUIUFICII-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4u2i5ITTf66
Name Isophthalic acid, 4-isopropylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-4-5-6-7-8-9-10-18-29-25(27)22-12-11-13-23(19-22)26(28)30-24-16-14-21(15-17-24)20(2)3/h11-17,19-20H,4-10,18H2,1-3H3
InChIKey MCOKYPUIUFICII-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O)C(C)C