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

*Links on SpectraBase are not permalinks.

Fumaric acid, 1-adamantylmethyl hexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 1-adamantylmethyl hexyl ester
SpectraBase Compound ID 2cG0YDD14d2
InChI InChI=1S/C21H32O4/c1-2-3-4-5-8-24-19(22)6-7-20(23)25-15-21-12-16-9-17(13-21)11-18(10-16)14-21/h6-7,16-18H,2-5,8-15H2,1H3/b7-6+/t16-,17+,18-,21-
InChIKey RNOSXAKQMSIJME-RIJPJZEDSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 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 HNa3dnMUnvv
Name Fumaric acid, 1-adamantylmethyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-2-3-4-5-8-24-19(22)6-7-20(23)25-15-21-12-16-9-17(13-21)11-18(10-16)14-21/h6-7,16-18H,2-5,8-15H2,1H3/b7-6+/t16-,17+,18-,21-
InChIKey RNOSXAKQMSIJME-RIJPJZEDSA-N
Molecular Weight 348.483 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(\C=C\C(OCCCCCC)=O)=O