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3-Cyano-tetracyclo(5.4.0.0/2,4/.0/3,6/)undeca-1(7),8,10-triene
SpectraBase Compound ID 5mADPR17mB3
InChI InChI=1S/C12H9N/c13-6-12-9-5-10(12)11(12)8-4-2-1-3-7(8)9/h1-4,9-11H,5H2/t9-,10+,11-,12+/m1/s1
InChIKey WLGOWHMYWGQYOB-KXNHARMFSA-N
Mol Weight 167.21 g/mol
Molecular Formula C12H9N
Exact Mass 167.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qYyaj4ikyP
Name 3-Cyano-tetracyclo(5.4.0.0/2,4/.0/3,6/)undeca-1(7),8,10-triene
CAS Registry Number 71925-44-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N
InChI InChI=1S/C12H9N/c13-6-12-9-5-10(12)11(12)8-4-2-1-3-7(8)9/h1-4,9-11H,5H2/t9-,10+,11-,12+/m1/s1
InChIKey WLGOWHMYWGQYOB-KXNHARMFSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, A.Y. Ku, C. Santiago, J. Am. Chem. Soc. 101, 5972 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3