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

*Links on SpectraBase are not permalinks.

4-Butylbenzoic acid, 1-adamantylmethyl ester

View entire compound with spectra: 1 NMR

4-Butylbenzoic acid, 1-adamantylmethyl ester
SpectraBase Compound ID XPfTgKAqRU
InChI InChI=1S/C22H30O2/c1-2-3-4-16-5-7-20(8-6-16)21(23)24-15-22-12-17-9-18(13-22)11-19(10-17)14-22/h5-8,17-19H,2-4,9-15H2,1H3/t17-,18+,19-,22-
InChIKey OFLCWOOKKFWXER-FZKTVRCQSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 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 JSGRMNtO6LT
Name 4-Butylbenzoic acid, 1-adamantylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.224580204 u
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-2-3-4-16-5-7-20(8-6-16)21(23)24-15-22-12-17-9-18(13-22)11-19(10-17)14-22/h5-8,17-19H,2-4,9-15H2,1H3/t17-,18+,19-,22-
InChIKey OFLCWOOKKFWXER-FZKTVRCQSA-N
Molecular Weight 326.480 g/mol
SMILES C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=C(CCCC)C=C1