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Fumaric acid, cyclohex-3-enylmethyl pentadecyl ester

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

Fumaric acid, cyclohex-3-enylmethyl pentadecyl ester
SpectraBase Compound ID J6Es7TiOPlf
InChI InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-23-24-18-15-14-16-19-24/h14-15,20-21,24H,2-13,16-19,22-23H2,1H3/b21-20+
InChIKey CSHFJZKMMGHVPY-QZQOTICOSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 507rLHbKWXT
Name Fumaric acid, cyclohex-3-enylmethyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.323959893 u
Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-25(27)20-21-26(28)30-23-24-18-15-14-16-19-24/h14-15,20-21,24H,2-13,16-19,22-23H2,1H3/b21-20+
InChIKey CSHFJZKMMGHVPY-QZQOTICOSA-N
Molecular Weight 420.634 g/mol
SMILES C1C(CCC=C1)COC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O