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Isophthalic acid, 2-biphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-biphenyl nonyl ester
SpectraBase Compound ID sEyIxOgLXi
InChI InChI=1S/C29H32O4/c1-2-3-4-5-6-7-13-21-32-28(30)24-17-14-18-25(22-24)29(31)33-27-20-12-11-19-26(27)23-15-9-8-10-16-23/h8-12,14-20,22H,2-7,13,21H2,1H3
InChIKey JZVWVYCGZVCITK-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H32O4
Exact Mass 444.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmvmCfCt9FV
Name Isophthalic acid, 2-biphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.230059506 u
Formula C29H32O4
InChI InChI=1S/C29H32O4/c1-2-3-4-5-6-7-13-21-32-28(30)24-17-14-18-25(22-24)29(31)33-27-20-12-11-19-26(27)23-15-9-8-10-16-23/h8-12,14-20,22H,2-7,13,21H2,1H3
InChIKey JZVWVYCGZVCITK-UHFFFAOYSA-N
Molecular Weight 444.571 g/mol
SMILES C1=CC=C(C=C1)C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O