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

*Links on SpectraBase are not permalinks.

Adipic acid, 2-adamantyl butyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-adamantyl butyl ester
SpectraBase Compound ID 6FmRICjOdIK
InChI InChI=1S/C20H32O4/c1-2-3-8-23-18(21)6-4-5-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-17,20H,2-13H2,1H3/t14-,15+,16-,17+,20?
InChIKey JYGKUFWXCZQKHP-YMSSVPQNSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 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 6uaYIXbUERJ
Name Adipic acid, 2-adamantyl butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-8-23-18(21)6-4-5-7-19(22)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-17,20H,2-13H2,1H3/t14-,15+,16-,17+,20?
InChIKey JYGKUFWXCZQKHP-YMSSVPQNSA-N
Molecular Weight 336.472 g/mol
SMILES C(CC(=O)OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])CCC(OCCCC)=O