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Fumaric acid, dodecyl 2-formylphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, dodecyl 2-formylphenyl ester
SpectraBase Compound ID Fx0et5O8u9H
InChI InChI=1S/C23H32O5/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(25)16-17-23(26)28-21-15-12-11-14-20(21)19-24/h11-12,14-17,19H,2-10,13,18H2,1H3/b17-16+
InChIKey OZLSAPWBKSKSOC-WUKNDPDISA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Zr1tqELmXi
Name Fumaric acid, dodecyl 2-formylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.224974125 u
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(25)16-17-23(26)28-21-15-12-11-14-20(21)19-24/h11-12,14-17,19H,2-10,13,18H2,1H3/b17-16+
InChIKey OZLSAPWBKSKSOC-WUKNDPDISA-N
Molecular Weight 388.504 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCC)=O)(OC1=C(C=CC=C1)C=O)=O