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Butyl-2,4,6,8-cyclooctatetraene

View entire compound with spectra: 2 MS (GC)

Butyl-2,4,6,8-cyclooctatetraene
SpectraBase Compound ID Fisx7U0NoTP
InChI InChI=1S/C12H16/c1-2-3-9-12-10-7-5-4-6-8-11-12/h4-8,10-11H,2-3,9H2,1H3/b5-4-,6-4-,7-5-,8-6-,10-7-,11-8-,12-10-,12-11-
InChIKey XFZXRUMEKNEIPI-QFROGIBBSA-N
Mol Weight 160.26 g/mol
Molecular Formula C12H16
Exact Mass 160.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBhHToLx4VX
Name Butyl-2,4,6,8-cyclooctatetraene
Alternate Name(s) 1,3,5,7-Cyclooctatetraene, 1-butyl-
CAS Registry Number 13402-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16
InChI InChI=1S/C12H16/c1-2-3-9-12-10-7-5-4-6-8-11-12/h4-8,10-11H,2-3,9H2,1H3/b5-4-,6-4-,7-5-,8-6-,10-7-,11-8-,12-10-,12-11-
InChIKey XFZXRUMEKNEIPI-QFROGIBBSA-N
Molecular Weight 160.260 g/mol
SMILES C(\C1=C/C=C\C=C/C=C\1)CCC
SPLASH splash10-014i-3900000000-ad9da976e01995503a79
Source of Spectrum HE-1982-0-0
Wiley ID 1157328