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4-Formyl-12-(2-methoxyphenyl)-[2.2]paracyclophane
SpectraBase Compound ID 6mOmPg9W8t7
InChI InChI=1S/C24H22O2/c1-26-24-5-3-2-4-22(24)23-15-18-7-11-19-10-6-17(14-21(19)16-25)8-12-20(23)13-9-18/h2-6,9-10,13-16H,7-8,11-12H2,1H3
InChIKey AKGGHKWQFWUUIU-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C24H22O2
Exact Mass 342.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KB8xqozCPm
Name 4-Formyl-12-(2-methoxyphenyl)-[2.2]paracyclophane
Comments Computed using HOSE algorithm
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Exact Mass 342.161979946 u
Formula C24H22O2
InChI InChI=1S/C24H22O2/c1-26-24-5-3-2-4-22(24)23-15-18-7-11-19-10-6-17(14-21(19)16-25)8-12-20(23)13-9-18/h2-6,9-10,13-16H,7-8,11-12H2,1H3
InChIKey AKGGHKWQFWUUIU-UHFFFAOYSA-N
Molecular Weight 342.438 g/mol
SMILES C1=2C=C(C(=CC2)CCC=2C=C(C(CC1)=CC2)C=O)C1=C(C=CC=C1)OC