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1,3-Cyclooctadiene

View entire compound with spectra: 55 NMR, 8 FTIR, 1 Raman, 11 MS (GC), and 2 Near IR

1,3-Cyclooctadiene
SpectraBase Compound ID FHh4g7apINQ
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
InChIKey RRKODOZNUZCUBN-CCAGOZQPSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECmaEZJEW76
Name 1,3-Cyclooctadiene
CAS Registry Number 1700-10-3
Comments TWIST-BOAT-CHAIR CONFORMATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-
InChIKey RRKODOZNUZCUBN-CCAGOZQPSA-N
Literature Reference F.A. Anet, I. Yavari, J. Am. Chem. Soc. 100, 7814 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl2F