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Cyclobut[a]azulene-8-carbonitrile, 2a,8a-dihydro-
SpectraBase Compound ID fJg1x3zO8G
InChI InChI=1S/C13H9N/c14-8-13-10-5-3-1-2-4-9(10)11-6-7-12(11)13/h1-7,11-12H
InChIKey OXAYMCZAQFEANF-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C13H9N
Exact Mass 179.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFhTk0xzaSS
Name Cyclobut[a]azulene-8-carbonitrile, 2a,8a-dihydro-
CAS Registry Number 87306-21-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H9N
InChI InChI=1S/C13H9N/c14-8-13-10-5-3-1-2-4-9(10)11-6-7-12(11)13/h1-7,11-12H
InChIKey OXAYMCZAQFEANF-UHFFFAOYSA-N
Molecular Weight 179.222 g/mol
SMILES C12=C(C3C=CC3C2=CC=CC=C1)C#N
SPLASH splash10-0udi-0900000000-99843007c6c028f66d23
Source of Spectrum F-42-1754-9
Synonyms 2a,8a-dihydrocyclobuta[a]azulene-8-carbonitrile 6-Cyanotricyclo[5,5,0,0(2,5)]dodeca-3,6,8,10,12-pentaene
Wiley ID 1175500