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3-(4'-Cyano-1',3'-butadiynyl)bicyclo[2.2.2]oct-2,5-diene-2-carbonitrile
SpectraBase Compound ID 8CECrNsuWbm
InChI InChI=1S/C14H8N2/c15-9-3-1-2-4-13-11-5-7-12(8-6-11)14(13)10-16/h5,7,11-12H,6,8H2
InChIKey SXGUIYMPEHZRRR-UHFFFAOYSA-N
Mol Weight 204.23 g/mol
Molecular Formula C14H8N2
Exact Mass 204.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W1XrlzgXMf
Name 3-(4'-Cyano-1',3'-butadiynyl)bicyclo[2.2.2]oct-2,5-diene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2
InChI InChI=1S/C14H8N2/c15-9-3-1-2-4-13-11-5-7-12(8-6-11)14(13)10-16/h5,7,11-12H,6,8H2
InChIKey SXGUIYMPEHZRRR-UHFFFAOYSA-N
Molecular Weight 204.232 g/mol
SMILES C1(=C(C#N)C2C=CC1CC2)C#CC#CC#N
SPLASH splash10-004i-2900000000-3019c87ada89cf450a3a
Source of Spectrum U1-1999-2499-27
Synonyms 3-(4-cyano-1,3-butadiynyl)bicyclo[2.2.2]octa-2,5-diene-2-carbonitrile
Wiley ID 753684