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

*Links on SpectraBase are not permalinks.

3-Methyl-2-butenoic acid, 2-(1-adamantyl)ethyl ester

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

3-Methyl-2-butenoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID J5IivBaNdPe
InChI InChI=1S/C17H26O2/c1-12(2)5-16(18)19-4-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h5,13-15H,3-4,6-11H2,1-2H3/t13-,14+,15-,17+
InChIKey JDWYQNSCKIOJDS-OOIBXKBGSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 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 C9S9RDfI3gM
Name 3-Methyl-2-butenoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-12(2)5-16(18)19-4-3-17-9-13-6-14(10-17)8-15(7-13)11-17/h5,13-15H,3-4,6-11H2,1-2H3/t13-,14+,15-,17+
InChIKey JDWYQNSCKIOJDS-OOIBXKBGSA-N
Molecular Weight 262.393 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C=C(C)C)[H]