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4,6,8-Trimethylazulene

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4,6,8-Trimethylazulene
SpectraBase Compound ID 6VSkiKqJU1N
InChI InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3
InChIKey RUNBRXWUHPOTOO-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C13H14
Exact Mass 170.10955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2omkIZiGvzG
Name 4,6,8-Trimethylazulene
CAS Registry Number 941-81-1
Comments AVERAGED C-H-COUPLING CONSTANTS REPORTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14
InChI InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3
InChIKey RUNBRXWUHPOTOO-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference S. Braun, J. Kinkeldei, Tetrahedron 33, 1827 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3