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Diethylmalonic acid, 4-biphenyl pentyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl pentyl ester
SpectraBase Compound ID CLCXEAcuoSi
InChI InChI=1S/C24H30O4/c1-4-7-11-18-27-22(25)24(5-2,6-3)23(26)28-21-16-14-20(15-17-21)19-12-9-8-10-13-19/h8-10,12-17H,4-7,11,18H2,1-3H3
InChIKey LQNPOXNNVNMFJC-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 3YK45LcRYGX
Name Diethylmalonic acid, 4-biphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-7-11-18-27-22(25)24(5-2,6-3)23(26)28-21-16-14-20(15-17-21)19-12-9-8-10-13-19/h8-10,12-17H,4-7,11,18H2,1-3H3
InChIKey LQNPOXNNVNMFJC-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES CCC(C(OCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC