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Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-benzoyl-, 2-(4-methoxyphenyl)-2-oxoethyl ester
SpectraBase Compound ID FFtcX5YGvEO
InChI InChI=1S/C24H24O5/c1-28-19-11-9-15(10-12-19)20(25)14-29-24(27)22-18-8-7-17(13-18)21(22)23(26)16-5-3-2-4-6-16/h2-6,9-12,17-18,21-22H,7-8,13-14H2,1H3
InChIKey LAMSTBQZIAOBPC-UHFFFAOYSA-N
Mol Weight 392.45 g/mol
Molecular Formula C24H24O5
Exact Mass 392.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LjfyTmPuPP
Name Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-benzoyl-, 2-(4-methoxyphenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.162373868 u
Formula C24H24O5
InChI InChI=1S/C24H24O5/c1-28-19-11-9-15(10-12-19)20(25)14-29-24(27)22-18-8-7-17(13-18)21(22)23(26)16-5-3-2-4-6-16/h2-6,9-12,17-18,21-22H,7-8,13-14H2,1H3
InChIKey LAMSTBQZIAOBPC-UHFFFAOYSA-N
Molecular Weight 392.451 g/mol
SMILES C1(C(C2CC1CC2)C(OCC(C=1C=CC(=CC1)OC)=O)=O)C(=O)C=1C=CC=CC1