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Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-5-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-5-carboxylic acid methyl ester
SpectraBase Compound ID DApWRG7ZfSo
InChI InChI=1S/C20H22O2/c1-22-20(21)19-14-17-5-3-2-4-15-6-8-16(9-7-15)10-12-18(19)13-11-17/h6-9,11,13-14H,2-5,10,12H2,1H3
InChIKey OATLNHCRSAVIQT-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 K5ujHV57Jxp
Name Tricyclo[10.2.2.2*4,7*]octadeca-1(15),4,6,12(16),13,17-hexaene-5-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)19-14-17-5-3-2-4-15-6-8-16(9-7-15)10-12-18(19)13-11-17/h6-9,11,13-14H,2-5,10,12H2,1H3
InChIKey OATLNHCRSAVIQT-UHFFFAOYSA-N
SMILES C1(C(=O)OC)=C2CCC3=CC=C(CCCCC(=C1)C=C2)C=C3