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Glutaric acid, 4-biphenyl heptyl ester
SpectraBase Compound ID 4BprOZv3vdo
InChI InChI=1S/C24H30O4/c1-2-3-4-5-9-19-27-23(25)13-10-14-24(26)28-22-17-15-21(16-18-22)20-11-7-6-8-12-20/h6-8,11-12,15-18H,2-5,9-10,13-14,19H2,1H3
InChIKey ZXEVBGMFTDDAAM-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FvlxClh99x
Name Glutaric acid, 4-biphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-9-19-27-23(25)13-10-14-24(26)28-22-17-15-21(16-18-22)20-11-7-6-8-12-20/h6-8,11-12,15-18H,2-5,9-10,13-14,19H2,1H3
InChIKey ZXEVBGMFTDDAAM-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC=CC(=C1)C1=CC=C(C=C1)OC(CCCC(OCCCCCCC)=O)=O