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Isophthalic acid, 2-biphenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-biphenyl pentyl ester
SpectraBase Compound ID FfTET7TCzqa
InChI InChI=1S/C25H24O4/c1-2-3-9-17-28-24(26)20-13-10-14-21(18-20)25(27)29-23-16-8-7-15-22(23)19-11-5-4-6-12-19/h4-8,10-16,18H,2-3,9,17H2,1H3
InChIKey RXKFPALSYXIHLG-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6bJIQHwize
Name Isophthalic acid, 2-biphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.167459249 u
Formula C25H24O4
InChI InChI=1S/C25H24O4/c1-2-3-9-17-28-24(26)20-13-10-14-21(18-20)25(27)29-23-16-8-7-15-22(23)19-11-5-4-6-12-19/h4-8,10-16,18H,2-3,9,17H2,1H3
InChIKey RXKFPALSYXIHLG-UHFFFAOYSA-N
Molecular Weight 388.463 g/mol
SMILES C1=CC=C(C=C1)C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O