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1,3,5,7-Cyclooctatetraene-1-butanol

View entire compound with spectra: 1 MS (GC)

1,3,5,7-Cyclooctatetraene-1-butanol
SpectraBase Compound ID 9WSvvLdVK0g
InChI InChI=1S/C12H16O/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h1-5,8-9,13H,6-7,10-11H2/b2-1-,3-1-,4-2-,5-3-,8-4-,9-5-,12-8+,12-9+
InChIKey SFVOFVCGAWJGSX-FPNRHLQESA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACgas9xc7a6
Name 1,3,5,7-Cyclooctatetraene-1-butanol
Alternate Name(s) 4-(2,4,6,8-cyclooctatetraenyl)-1-butanol 4-Cyclooctatetraenylbutan-1-ol
CAS Registry Number 57670-89-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h1-5,8-9,13H,6-7,10-11H2/b2-1-,3-1-,4-2-,5-3-,8-4-,9-5-,12-8+,12-9+
InChIKey SFVOFVCGAWJGSX-FPNRHLQESA-N
Molecular Weight 176.259 g/mol
SMILES OCCCC\C1=C\C=C/C=C\C=C/1
SPLASH splash10-014i-0900000000-be7c20b13a6acff4d1f5
Source of Spectrum B-28-2247-0
Wiley ID 1172649