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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-(1-adamantyl)ethyl butyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-(1-adamantyl)ethyl butyl ester
SpectraBase Compound ID DSeebZehrVJ
InChI InChI=1S/C20H30O4/c1-2-3-7-23-18(21)4-5-19(22)24-8-6-20-12-15-9-16(13-20)11-17(10-15)14-20/h4-5,15-17H,2-3,6-14H2,1H3/b5-4+/t15-,16+,17-,20+
InChIKey VLVXCCPSZGTRKK-IDJMTLFTSA-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 GaxKQnRrhVc
Name Fumaric acid, 2-(1-adamantyl)ethyl butyl 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/c1-2-3-7-23-18(21)4-5-19(22)24-8-6-20-12-15-9-16(13-20)11-17(10-15)14-20/h4-5,15-17H,2-3,6-14H2,1H3/b5-4+/t15-,16+,17-,20+
InChIKey VLVXCCPSZGTRKK-IDJMTLFTSA-N
Molecular Weight 334.456 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])CCOC(\C=C\C(OCCCC)=O)=O