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Fumaric acid, ditridecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, ditridecyl ester
SpectraBase Compound ID JjbpDzDt5DU
InChI InChI=1S/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3/b26-25+
InChIKey DFKBFBPHOGVNGQ-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 6Yg9bxeT7zH
Name Fumaric acid, ditridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3/b26-25+
InChIKey DFKBFBPHOGVNGQ-OCEACIFDSA-N
Molecular Weight 480.774 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCC)=O)(OCCCCCCCCCCCCC)=O