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Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester
SpectraBase Compound ID C6QbMqXDI1F
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h10-14,16-17,19-20H,2-9,15,18,21-22H2,1H3/b14-10+,20-19+
InChIKey MHYIYWBULBBIGN-PVLGCOFDSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9X21DAhMMeq
Name Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h10-14,16-17,19-20H,2-9,15,18,21-22H2,1H3/b14-10+,20-19+
InChIKey MHYIYWBULBBIGN-PVLGCOFDSA-N
Molecular Weight 400.559 g/mol
SMILES C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCCCC1=CC=CC=C1)=O