For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Fumaric acid, cyclohex-3-enylmethyl heptadecyl ester

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

Fumaric acid, cyclohex-3-enylmethyl heptadecyl ester
SpectraBase Compound ID JyUGTnZHtwX
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31-27(29)22-23-28(30)32-25-26-20-17-16-18-21-26/h16-17,22-23,26H,2-15,18-21,24-25H2,1H3/b23-22+
InChIKey YQBZCKCYCLDQNX-GHVJWSGMSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ei2vi1FEJc5
Name Fumaric acid, cyclohex-3-enylmethyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.355260022 u
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31-27(29)22-23-28(30)32-25-26-20-17-16-18-21-26/h16-17,22-23,26H,2-15,18-21,24-25H2,1H3/b23-22+
InChIKey YQBZCKCYCLDQNX-GHVJWSGMSA-N
Molecular Weight 448.688 g/mol
SMILES C1=CCC(CC1)COC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O