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Isophthalic acid, 2-biphenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-biphenyl octyl ester
SpectraBase Compound ID Kl8bO7rAOFD
InChI InChI=1S/C28H30O4/c1-2-3-4-5-6-12-20-31-27(29)23-16-13-17-24(21-23)28(30)32-26-19-11-10-18-25(26)22-14-8-7-9-15-22/h7-11,13-19,21H,2-6,12,20H2,1H3
InChIKey YVQQBOXQSPIGFS-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3HrRLfcAG7
Name Isophthalic acid, 2-biphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.214409442 u
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-2-3-4-5-6-12-20-31-27(29)23-16-13-17-24(21-23)28(30)32-26-19-11-10-18-25(26)22-14-8-7-9-15-22/h7-11,13-19,21H,2-6,12,20H2,1H3
InChIKey YVQQBOXQSPIGFS-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES C1=CC=C(C=C1)C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O