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1,3,5,7-Cyclooctatetraene-1-butanenitrile
SpectraBase Compound ID CgUVqQHhevY
InChI InChI=1S/C12H13N/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h1-5,8-9H,6-7,10H2/b2-1-,3-1-,4-2-,5-3-,8-4-,9-5-,12-8+,12-9+
InChIKey OQMIKKLPDZLBIT-FPNRHLQESA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGWKcCc8nwh
Name 1,3,5,7-Cyclooctatetraene-1-butanenitrile
Alternate Name(s) 4-(2,4,6,8-Cyclooctatetraenyl)butanenitrile 4-Cyclooctatetraenylbutyronitrile
CAS Registry Number 57670-87-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h1-5,8-9H,6-7,10H2/b2-1-,3-1-,4-2-,5-3-,8-4-,9-5-,12-8+,12-9+
InChIKey OQMIKKLPDZLBIT-FPNRHLQESA-N
Molecular Weight 171.243 g/mol
SMILES C(#N)CCC\C1=C\C=C/C=C\C=C/1
SPLASH splash10-014i-0900000000-f189bbff675e513742c8
Source of Spectrum B-28-2246-0
Wiley ID 1168096