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3-Methyl-azulene-1-carbonitrile
SpectraBase Compound ID KKYk2wUgv3i
InChI InChI=1S/C12H9N/c1-9-7-10(8-13)12-6-4-2-3-5-11(9)12/h2-7H,1H3
InChIKey CHYBMRGKESSBQL-UHFFFAOYSA-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 BVThx952Obu
Name 3-Methyl-azulene-1-carbonitrile
CAS Registry Number 103640-22-8
Comments SHIFT OF C2 CHANGED FROM 130.66 PPM (PROBABLY PRINTING ERROR)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N
InChI InChI=1S/C12H9N/c1-9-7-10(8-13)12-6-4-2-3-5-11(9)12/h2-7H,1H3
InChIKey CHYBMRGKESSBQL-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference P.R. Wells, K.G. Penman, I.D.Rae, Aust. J. Chem. 33, 2221 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3