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Fumaric acid, dodecyl 4-phenylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, dodecyl 4-phenylphenyl ester
SpectraBase Compound ID AGYF5FPifYX
InChI InChI=1S/C28H36O4/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/h11-13,15-22H,2-10,14,23H2,1H3/b22-21+
InChIKey VKJFZZMMKRBKKM-QURGRASLSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2DADiiDkDs
Name Fumaric acid, dodecyl 4-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.261359635 u
Formula C28H36O4
InChI InChI=1S/C28H36O4/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/h11-13,15-22H,2-10,14,23H2,1H3/b22-21+
InChIKey VKJFZZMMKRBKKM-QURGRASLSA-N
Molecular Weight 436.592 g/mol
SMILES C(OC1=CC=C(C2=CC=CC=C2)C=C1)(\C=C\C(OCCCCCCCCCCCC)=O)=O