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Fumaric acid, cyclohex-3-enylmethyl dodecyl ester

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

Fumaric acid, cyclohex-3-enylmethyl dodecyl ester
SpectraBase Compound ID Ff2osqnZUTH
InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h11-12,17-18,21H,2-10,13-16,19-20H2,1H3/b18-17+
InChIKey UTRVNQFQVSETIB-ISLYRVAYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlZOSDpj5gH
Name Fumaric acid, cyclohex-3-enylmethyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.277009700 u
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h11-12,17-18,21H,2-10,13-16,19-20H2,1H3/b18-17+
InChIKey UTRVNQFQVSETIB-ISLYRVAYSA-N
Molecular Weight 378.553 g/mol
SMILES C1C(CCC=C1)COC(\C=C\C(OCCCCCCCCCCCC)=O)=O