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anti-1,5-Bishomo-cycloheptatriene
SpectraBase Compound ID 8nXohr9sGYW
InChI InChI=1S/C9H12/c1-2-7-4-9(7)5-8-3-6(1)8/h1-2,6-9H,3-5H2
InChIKey XFDLCDUCEAMREM-UHFFFAOYSA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UAycxV2r56
Name syn-1,5-Bishomo-cycloheptatriene
CAS Registry Number 62211-22-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-2-7-4-9(7)5-8-3-6(1)8/h1-2,6-9H,3-5H2
InChIKey XFDLCDUCEAMREM-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M.R. Detty, L.A. Paquette, J. Am. Chem. Soc. 99, 821 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3