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

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

Fumaric acid, 2,4-dimethylpent-3-yl pentadecyl ester
SpectraBase Compound ID FnkgIzyLO1O
InChI InChI=1S/C26H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)19-20-25(28)30-26(22(2)3)23(4)5/h19-20,22-23,26H,6-18,21H2,1-5H3/b20-19+
InChIKey GAPFCPGZMUJRFZ-FMQUCBEESA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EofrwzFicGw
Name Fumaric acid, 2,4-dimethylpent-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-24(27)19-20-25(28)30-26(22(2)3)23(4)5/h19-20,22-23,26H,6-18,21H2,1-5H3/b20-19+
InChIKey GAPFCPGZMUJRFZ-FMQUCBEESA-N
Molecular Weight 424.666 g/mol
SMILES C(OC(C(C)C)C(C)C)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O