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1-Cyano-benzo-bullvalene

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1-Cyano-benzo-bullvalene
SpectraBase Compound ID Io225JfKGUL
InChI InChI=1S/C13H9N/c14-7-13-10-5-6-11(13)12(13)9-4-2-1-3-8(9)10/h1-6,10-12H/t10-,11+,12-,13+/m1/s1
InChIKey NZGKIFRHOVPPLK-XQHKEYJVSA-N
Mol Weight 179.22 g/mol
Molecular Formula C13H9N
Exact Mass 179.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfccOvgvryA
Name 1-Cyano-benzo-bullvalene
CAS Registry Number 55277-78-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9N
InChI InChI=1S/C13H9N/c14-7-13-10-5-6-11(13)12(13)9-4-2-1-3-8(9)10/h1-6,10-12H/t10-,11+,12-,13+/m1/s1
InChIKey NZGKIFRHOVPPLK-XQHKEYJVSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, W.E. Volz, J. Am. Chem. Soc. 98, 2910 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3