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Fumaric acid, 2,4-dimethylpent-3-yl tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 2,4-dimethylpent-3-yl tetradecyl ester
SpectraBase Compound ID F4ksufsKt0o
InChI InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(26)18-19-24(27)29-25(21(2)3)22(4)5/h18-19,21-22,25H,6-17,20H2,1-5H3/b19-18+
InChIKey IANLJONKIANLAJ-VHEBQXMUSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPh1YuIfOwX
Name Fumaric acid, 2,4-dimethylpent-3-yl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(26)18-19-24(27)29-25(21(2)3)22(4)5/h18-19,21-22,25H,6-17,20H2,1-5H3/b19-18+
InChIKey IANLJONKIANLAJ-VHEBQXMUSA-N
Molecular Weight 410.639 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O