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Succinic acid, 4-biphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-biphenyl dodecyl ester
SpectraBase Compound ID AdaJBNAHlTW
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-23-31-27(29)21-22-28(30)32-26-19-17-25(18-20-26)24-15-12-11-13-16-24/h11-13,15-20H,2-10,14,21-23H2,1H3
InChIKey LNAAUVCGZSUZFX-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vOUnspUUMz
Name Succinic acid, 4-biphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-23-31-27(29)21-22-28(30)32-26-19-17-25(18-20-26)24-15-12-11-13-16-24/h11-13,15-20H,2-10,14,21-23H2,1H3
InChIKey LNAAUVCGZSUZFX-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCCCCCCCCCC)=O