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Fumaric acid, octadecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, octadecyl trans-hex-3-enyl ester
SpectraBase Compound ID DfrlLxAk8Ml
InChI InChI=1S/C28H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-23-27(29)31-25-21-8-6-4-2/h6,8,23-24H,3-5,7,9-22,25-26H2,1-2H3/b8-6+,24-23+
InChIKey GYXYRKFEGBVEOO-FYTAZISXSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNDlYnZGwX9
Name Fumaric acid, octadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-23-27(29)31-25-21-8-6-4-2/h6,8,23-24H,3-5,7,9-22,25-26H2,1-2H3/b8-6+,24-23+
InChIKey GYXYRKFEGBVEOO-FYTAZISXSA-N
Molecular Weight 450.704 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O