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Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-6-carboxylic acid methyl ester

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Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-6-carboxylic acid methyl ester
SpectraBase Compound ID FJw1HUaGFnT
InChI InChI=1S/C20H22O2/c1-22-20(21)19-14-17-11-10-16-8-6-15(7-9-16)4-2-3-5-18(19)13-12-17/h6-9,12-14H,2-5,10-11H2,1H3
InChIKey JPGWWDUOAJAFFJ-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C20H22O2
Exact Mass 294.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UecrnLr6Wl
Name Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-6-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.161979946 u
Formula C20H22O2
InChI InChI=1S/C20H22O2/c1-22-20(21)19-14-17-11-10-16-8-6-15(7-9-16)4-2-3-5-18(19)13-12-17/h6-9,12-14H,2-5,10-11H2,1H3
InChIKey JPGWWDUOAJAFFJ-UHFFFAOYSA-N
SMILES C1(C(=O)OC)=C2C=CC(=C1)CCC=1C=CC(CCCC2)=CC1