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1,4-Cyclooctadiene

View entire compound with spectra: 36 NMR, and 4 MS (GC)

1,4-Cyclooctadiene
SpectraBase Compound ID Ev2sKFr2qsL
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,5,7H,3-4,6,8H2/b2-1-,7-5-
InChIKey DNZZPKYSGRTNGK-PQZOIKATSA-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 5mUCOoQEDM9
Name 1,4-Cyclooctadiene
CAS Registry Number 1073-07-0
Comments IN CHFCL2/CHF2CL (1:2) BOAT-CHAIR CONFORMATION
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,5,7H,3-4,6,8H2/b2-1-,7-5-
InChIKey DNZZPKYSGRTNGK-PQZOIKATSA-N
Instrument Name Special
Literature Reference F.A. Anet, I. Yavari, J. Am. Chem. Soc. 99, 6986 (1977).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany