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Fumaric acid, heptadecyl neopentyl ester

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

Fumaric acid, heptadecyl neopentyl ester
SpectraBase Compound ID BqZ2zgy4Mop
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-25(28)30-23-26(2,3)4/h20-21H,5-19,22-23H2,1-4H3/b21-20+
InChIKey LQPACPYKGMKVTL-QZQOTICOSA-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 F3EAF5pQ7SD
Name Fumaric acid, heptadecyl neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)20-21-25(28)30-23-26(2,3)4/h20-21H,5-19,22-23H2,1-4H3/b21-20+
InChIKey LQPACPYKGMKVTL-QZQOTICOSA-N
Molecular Weight 424.666 g/mol
SMILES C(CCCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCCC