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Glutaric acid, 4-biphenyl octyl ester
SpectraBase Compound ID EGIkYzFOLn5
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-10-20-28-24(26)14-11-15-25(27)29-23-18-16-22(17-19-23)21-12-8-7-9-13-21/h7-9,12-13,16-19H,2-6,10-11,14-15,20H2,1H3
InChIKey RXHRLQNBHDWBEU-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x3xQ1GyZ6u
Name Glutaric acid, 4-biphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-10-20-28-24(26)14-11-15-25(27)29-23-18-16-22(17-19-23)21-12-8-7-9-13-21/h7-9,12-13,16-19H,2-6,10-11,14-15,20H2,1H3
InChIKey RXHRLQNBHDWBEU-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=CC=CC(=C1)C1=CC=C(C=C1)OC(CCCC(OCCCCCCCC)=O)=O