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2,5,7,9,11-Bicyclo(5.4.1)dodecapentadien-4-one
SpectraBase Compound ID 7v2NC8oJYze
InChI InChI=1S/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2/b7-5-,8-6-
InChIKey RWWZETHJYZXSMA-SFECMWDFSA-N
Mol Weight 170.21 g/mol
Molecular Formula C12H10O
Exact Mass 170.073165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RDIpv0NVuS
Name 2,5,7,9,11-Bicyclo(5.4.1)dodecapentadien-4-one
CAS Registry Number 30234-90-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10O
InChI InChI=1S/C12H10O/c13-12-7-5-10-3-1-2-4-11(9-10)6-8-12/h1-8H,9H2/b7-5-,8-6-
InChIKey RWWZETHJYZXSMA-SFECMWDFSA-N
Instrument Name Varian FT-80
Literature Reference P.J. Stang, G. Maas, D.L.Smith, J. Am. Chem. Soc. 103, 4837 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN