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2-Methyl-1-phenyl-1,5-hexadiene isomer
SpectraBase Compound ID 4sXuQt1ae9C
InChI InChI=1S/C13H16/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,5-7,9-11H,1,4,8H2,2H3/b12-11+
InChIKey CKBGSMCNYULSRY-VAWYXSNFSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CpOnRSf6T9
Name 1-Phenyl-2-methyl-1-trans, 5-hexadiene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,5-7,9-11H,1,4,8H2,2H3/b12-11+
InChIKey CKBGSMCNYULSRY-VAWYXSNFSA-N
Literature Reference L.E. Overman, F.M. Knoll, J. Am. Chem. Soc. 102, 865 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3