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

*Links on SpectraBase are not permalinks.

Fumaric acid, neopentyl octadecyl ester

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

Fumaric acid, neopentyl octadecyl ester
SpectraBase Compound ID 9TgtlM7zjkb
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24-27(2,3)4/h21-22H,5-20,23-24H2,1-4H3/b22-21+
InChIKey DBNMWBUOKLKLKL-QURGRASLSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 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 JFZgb8QpGhb
Name Fumaric acid, neopentyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)21-22-26(29)31-24-27(2,3)4/h21-22H,5-20,23-24H2,1-4H3/b22-21+
InChIKey DBNMWBUOKLKLKL-QURGRASLSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCCCCC