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5(1)-Cyano-semibullvalene
SpectraBase Compound ID 2JsQ2bMG4qQ
InChI InChI=1S/C9H7N/c10-5-9-3-1-6-7(2-4-9)8(6)9/h1-4,6-8H/t6-,7+,8?,9?
InChIKey DYEQSUQSBGTGHZ-QPIHLSAKSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNhMipvrSSV
Name 5(1)-Cyano-semibullvalene
CAS Registry Number 55794-12-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7N
InChI InChI=1S/C9H7N/c10-5-9-3-1-6-7(2-4-9)8(6)9/h1-4,6-8H/t6-,7+,8?,9?
InChIKey DYEQSUQSBGTGHZ-QPIHLSAKSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, W.E. Volz, M.A.Deno, J. Am. Chem. Soc. 97, 2562 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3