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LADCKIXFXIKHQM-UHFFFAOYSA-N
SpectraBase Compound ID KOI8kwFezLD
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Euq9IFQs11l
Name 7-Cyano-cyclohepta-1,3,5-triene
CAS Registry Number 13612-59-4
Comments SOLVENT IS CHLOROETHANE/DEUTEROMETHYLENECHLORIDE (4/1) FAST RING INVERSION BETWEEN EQ AND AX POSITION OF CN-GROUP LINE BROADENING DUE TO SLOWER RING INVERSION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference R. Wehner, H. Guenther, J. Am. Chem. Soc. 97, 923 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany