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

*Links on SpectraBase are not permalinks.

Fumaric acid, 3-hexyl nonadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-hexyl nonadecyl ester
SpectraBase Compound ID Fjdfp00cAdc
InChI InChI=1S/C29H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-28(30)24-25-29(31)33-27(6-3)23-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey WOAZNNHTWIHWQZ-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 eXH175W6St
Name Fumaric acid, 3-hexyl nonadecyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-28(30)24-25-29(31)33-27(6-3)23-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey WOAZNNHTWIHWQZ-OCOZRVBESA-N
Molecular Weight 466.747 g/mol
SMILES C(OC(CC)CCC)(\C=C\C(OCCCCCCCCCCCCCCCCCCC)=O)=O