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m-Anisic acid, 2-(1-adamantyl)ethyl ester

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

m-Anisic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 5LLNvnsxFiT
InChI InChI=1S/C20H26O3/c1-22-18-4-2-3-17(10-18)19(21)23-6-5-20-11-14-7-15(12-20)9-16(8-14)13-20/h2-4,10,14-16H,5-9,11-13H2,1H3/t14-,15+,16-,20+
InChIKey CZMHDSCKYFJDBC-DHCNJJTISA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BUATGmEvz0
Name m-Anisic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.188194694 u
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-22-18-4-2-3-17(10-18)19(21)23-6-5-20-11-14-7-15(12-20)9-16(8-14)13-20/h2-4,10,14-16H,5-9,11-13H2,1H3/t14-,15+,16-,20+
InChIKey CZMHDSCKYFJDBC-DHCNJJTISA-N
SMILES C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=CC(OC)=C1