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5-methyl-2,7-di(phenyl)oxepine-4-carboxylic acid ethyl ester
SpectraBase Compound ID 7fUwy9xc7cR
InChI InChI=1S/C22H20O3/c1-3-24-22(23)19-15-21(18-12-8-5-9-13-18)25-20(14-16(19)2)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3
InChIKey ALGVWZGCVZTOMW-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C22H20O3
Exact Mass 332.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FzSXYLB6TL
Name 5-methyl-2,7-di(phenyl)oxepine-4-carboxylic acid ethyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O3
InChI InChI=1S/C22H20O3/c1-3-24-22(23)19-15-21(18-12-8-5-9-13-18)25-20(14-16(19)2)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3
InChIKey ALGVWZGCVZTOMW-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 332.399 g/mol
Source File Reference MHKO10153