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

*Links on SpectraBase are not permalinks.

1-Adamantanecarboxylic acid, 2-adamantyl ester

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

1-Adamantanecarboxylic acid, 2-adamantyl ester
SpectraBase Compound ID 7brCUMghr5C
InChI InChI=1S/C21H30O2/c22-20(21-9-14-2-15(10-21)4-16(3-14)11-21)23-19-17-5-12-1-13(7-17)8-18(19)6-12/h12-19H,1-11H2/t12-,13+,14-,15+,16-,17-,18+,19-,21-
InChIKey HCSCVWJWMLYUDD-REZANOHKSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 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 AdK056DRuMZ
Name 1-Adamantanecarboxylic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c22-20(21-9-14-2-15(10-21)4-16(3-14)11-21)23-19-17-5-12-1-13(7-17)8-18(19)6-12/h12-19H,1-11H2/t12-,13+,14-,15+,16-,17-,18+,19-,21-
InChIKey HCSCVWJWMLYUDD-REZANOHKSA-N
Molecular Weight 314.469 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)C24C[C@]5(C[C@](C[C@](C5)(C4)[H])(C2)[H])[H])(C[C@](C1)(C3)[H])[H])[H])[H]