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Cyclobut[a]azulene-8-carbonitrile, 2a,4,7,8a-tetrahydro-
SpectraBase Compound ID JqeX7VG7JWx
InChI InChI=1S/C13H11N/c14-8-13-10-5-3-1-2-4-9(10)11-6-7-12(11)13/h1,3-4,6-7,11-12H,2,5H2
InChIKey UVVDDMMLMUPPPI-UHFFFAOYSA-N
Mol Weight 181.24 g/mol
Molecular Formula C13H11N
Exact Mass 181.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxiZgLQuxBG
Name Cyclobut[a]azulene-8-carbonitrile, 2a,4,7,8a-tetrahydro-
CAS Registry Number 87306-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N
InChI InChI=1S/C13H11N/c14-8-13-10-5-3-1-2-4-9(10)11-6-7-12(11)13/h1,3-4,6-7,11-12H,2,5H2
InChIKey UVVDDMMLMUPPPI-UHFFFAOYSA-N
Molecular Weight 181.238 g/mol
SMILES C1(=C2C(=CCC=CC2)C2C1C=C2)C#N
SPLASH splash10-0fsi-0900000000-30dadb2b61fb7b5608ca
Source of Spectrum F-42-1754-37
Synonyms 2a,4,7,8a-tetrahydrocyclobuta[a]azulene-8-carbonitrile 6-Cyanotricyclo[5,5,0,0(2,5)]dodeca-3,6,9,12-tetraene
Wiley ID 1177751