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4-(3-OXOBUTYRYL)-2-PHENYLBENZOCYCLOHEPTAN-1,5-DIONE

View entire compound with spectra: 1 NMR

4-(3-OXOBUTYRYL)-2-PHENYLBENZOCYCLOHEPTAN-1,5-DIONE
SpectraBase Compound ID L4QBZEwdjs3
InChI InChI=1S/C21H18O4/c1-13(22)11-19(23)18-12-17(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(18)25/h2-10,17,25H,11-12H2,1H3
InChIKey AATQPBZBTWQPSR-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwfOc0hY7Tg
Name 4-(3-OXOBUTYRYL)-2-PHENYLBENZOCYCLOHEPTAN-1,5-DIONE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-13(22)11-19(23)18-12-17(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(18)25/h2-10,17,25H,11-12H2,1H3
InChIKey AATQPBZBTWQPSR-UHFFFAOYSA-N
Literature Reference Author A.MANSRI,P.F.CASALS,B.T.FAN,G.LAPLUYE
Literature Reference Citation BULL.SOC.CHIM.FR.,131,247(1994)
Molecular Weight 334.372 g/mol
Solvent CDCl3
Source File Reference UWSK2357