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1,3,5-Cycloheptatriene
SpectraBase Compound ID LpnXK4RjgHN
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TFFZ14509R
Name 1,3,5-Cycloheptatriene
CAS Registry Number 544-25-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference R. Wehner, H. Guenther, Chem. Ber. 107, 3152 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3