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Cyclooctatetraene

View entire compound with spectra: 34 NMR, 4 FTIR, 1 Raman, 6 MS (GC), and 2 Near IR

Cyclooctatetraene
SpectraBase Compound ID 2JRgk7qA60q
InChI InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChIKey KDUIUFJBNGTBMD-BONZMOEMSA-N
Mol Weight 104.15 g/mol
Molecular Formula C8H8
Exact Mass 104.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0rSmwDXlFQ
Name 1,3,5,7-Cyclooctatetraene
Alternate Name(s) [8]Annulene Cyclooctatetraene EINECS 211-080-3 NSC 5093 UN2358
CAS Registry Number 629-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8
InChI InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChIKey KDUIUFJBNGTBMD-BONZMOEMSA-N
Molecular Weight 104.152 g/mol
SMILES \C=1\C=C/C=C\C=C/C/1
SPLASH splash10-0udi-9800000000-bc2eef61aa10493c1c28
Source of Spectrum HE-1982-0-0
Wiley ID 1121144