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Fumaric acid, eicosyl 3-hexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, eicosyl 3-hexyl ester
SpectraBase Compound ID GF1yPkSiffd
InChI InChI=1S/C30H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-33-29(31)25-26-30(32)34-28(6-3)24-5-2/h25-26,28H,4-24,27H2,1-3H3/b26-25+
InChIKey IRBNEENJGWOBSS-OCEACIFDSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6v4UFhpTjkZ
Name Fumaric acid, eicosyl 3-hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-33-29(31)25-26-30(32)34-28(6-3)24-5-2/h25-26,28H,4-24,27H2,1-3H3/b26-25+
InChIKey IRBNEENJGWOBSS-OCEACIFDSA-N
Molecular Weight 480.774 g/mol
SMILES C(OC(CC)CCC)(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)=O