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

*Links on SpectraBase are not permalinks.

Fumaric acid, heptadecyl octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, heptadecyl octyl ester
SpectraBase Compound ID J0ird5oGZ4Z
InChI InChI=1S/C29H54O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-10-8-6-4-2/h24-25H,3-23,26-27H2,1-2H3/b25-24+
InChIKey ULCQQSSFHMUNNB-OCOZRVBESA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 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 iakYvAax9L
Name Fumaric acid, heptadecyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-27-33-29(31)25-24-28(30)32-26-22-20-10-8-6-4-2/h24-25H,3-23,26-27H2,1-2H3/b25-24+
InChIKey ULCQQSSFHMUNNB-OCOZRVBESA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCOC(\C=C\C(OCCCCCCCC)=O)=O)CCCCCCCCCCC