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Fumaric acid, tetradecyl tetrahydrofurfuryl ester

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Fumaric acid, tetradecyl tetrahydrofurfuryl ester
SpectraBase Compound ID LBApKyhRSzp
InChI InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(24)16-17-23(25)28-20-21-15-14-19-26-21/h16-17,21H,2-15,18-20H2,1H3/b17-16+
InChIKey UKPNRWHITFNZMS-WUKNDPDISA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H40O5
Exact Mass 396.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BX0M9ly1iyY
Name Fumaric acid, tetradecyl tetrahydrofurfuryl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.287574383 u
Formula C23H40O5
InChI InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-22(24)16-17-23(25)28-20-21-15-14-19-26-21/h16-17,21H,2-15,18-20H2,1H3/b17-16+
InChIKey UKPNRWHITFNZMS-WUKNDPDISA-N
Molecular Weight 396.568 g/mol
SMILES C(CCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O)CCCCCC