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trans-Tris.sigma.-homobenzene
SpectraBase Compound ID 1I5bimJ19mg
InChI InChI=1S/C9H12/c1-4-5(1)7-3-9(7)8-2-6(4)8/h4-9H,1-3H2
InChIKey KSRIBXUCAQAWHL-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 IXKHOmiw9ub
Name trans-Tris.sigma.-homobenzene
CAS Registry Number 37831-90-6
Comments C-3/C-9:CIS, C-3/C-6:TRANS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-4-5(1)7-3-9(7)8-2-6(4)8/h4-9H,1-3H2
InChIKey KSRIBXUCAQAWHL-UHFFFAOYSA-N
Literature Reference W. Spielmann, D. Kaufmann, Angew. Chem. 90, 470 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported