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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-adamantyl isohexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-adamantyl isohexyl ester
SpectraBase Compound ID Cns49QPxkSU
InChI InChI=1S/C20H30O4/c1-13(2)4-3-7-23-18(21)5-6-19(22)24-20-16-9-14-8-15(11-16)12-17(20)10-14/h5-6,13-17,20H,3-4,7-12H2,1-2H3/b6-5+/t14-,15+,16-,17+,20?
InChIKey LBZMIBQHGPKPPT-OJMPYDDFSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 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 1fvVWCMnzTp
Name Fumaric acid, 2-adamantyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13(2)4-3-7-23-18(21)5-6-19(22)24-20-16-9-14-8-15(11-16)12-17(20)10-14/h5-6,13-17,20H,3-4,7-12H2,1-2H3/b6-5+/t14-,15+,16-,17+,20?
InChIKey LBZMIBQHGPKPPT-OJMPYDDFSA-N
Molecular Weight 334.456 g/mol
SMILES C(\C=C\C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O)(OCCCC(C)C)=O