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4,5-Benzo-2,7-tricyclo(6.2.1.1/3,6/)dodecadione

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4,5-Benzo-2,7-tricyclo(6.2.1.1/3,6/)dodecadione
SpectraBase Compound ID D8IvGn3rMQ3
InChI InChI=1S/C16H16O2/c17-15-9-5-6-10(7-9)16(18)14-8-13(15)11-3-1-2-4-12(11)14/h1-4,9-10,13-14H,5-8H2/t9-,10+,13-,14+
InChIKey YRSJNRIOPYFJRB-IOQCUFBNSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yFUwyyMlIh
Name 4,5-Benzo-2,7-tricyclo(6.2.1.1/3,6/)dodecadione
CAS Registry Number 75725-35-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c17-15-9-5-6-10(7-9)16(18)14-8-13(15)11-3-1-2-4-12(11)14/h1-4,9-10,13-14H,5-8H2/t9-,10+,13-,14+
InChIKey YRSJNRIOPYFJRB-IOQCUFBNSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, R.V. Carr, J. Am. Chem. Soc. 102, 7553 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3