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Bicyclo(2.2.1)hepta-2,5-diene

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Bicyclo(2.2.1)hepta-2,5-diene
SpectraBase Compound ID 7Z31MXI2D9u
InChI InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKey SJYNFBVQFBRSIB-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 FHJObqwyts2
Name Bicyclo(2.2.1)heptadiene
CAS Registry Number 121-46-0
Comments COUPLING CONSTANTS FROM 2ND REF. W.OFFERMANN,ORG.MAGN.RESONANCE 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2
InChIKey SJYNFBVQFBRSIB-UHFFFAOYSA-N
Instrument Name Special
Literature Reference J.B. Grutzner, M. Jautelat, J.D. Roberts, J. Am. Chem. Soc. 92, 7107 (1970).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid