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

*Links on SpectraBase are not permalinks.
Fumaric acid, 3-methylbut-2-yl tetradecyl ester
SpectraBase Compound ID 1wjXtJsH99Y
InChI InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-22(24)17-18-23(25)27-21(4)20(2)3/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+
InChIKey KKXRJAFZXCKOTP-ISLYRVAYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 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 GkLsZLF8Mtx
Name Fumaric acid, 3-methylbut-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26-22(24)17-18-23(25)27-21(4)20(2)3/h17-18,20-21H,5-16,19H2,1-4H3/b18-17+
InChIKey KKXRJAFZXCKOTP-ISLYRVAYSA-N
Molecular Weight 382.585 g/mol
SMILES C(OC(C(C)C)C)(\C=C\C(OCCCCCCCCCCCCCC)=O)=O