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2,6-endo,endo-Dicyano-1-(phenylethynyl)-4-methylbicyclo[2.2.0]hexane
SpectraBase Compound ID I8k2hlXet95
InChI InChI=1S/C17H14N2/c1-16-9-14(11-18)17(16,15(10-16)12-19)8-7-13-5-3-2-4-6-13/h2-6,14-15H,9-10H2,1H3
InChIKey KXXNYWHUZAVVGU-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C17H14N2
Exact Mass 246.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TgnGExvv6
Name 2,6-endo,endo-Dicyano-1-(phenylethynyl)-4-methylbicyclo[2.2.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2
InChI InChI=1S/C17H14N2/c1-16-9-14(11-18)17(16,15(10-16)12-19)8-7-13-5-3-2-4-6-13/h2-6,14-15H,9-10H2,1H3
InChIKey KXXNYWHUZAVVGU-UHFFFAOYSA-N
Molecular Weight 246.313 g/mol
SMILES C12(C(C)(CC2C#N)CC1C#N)C#Cc1ccccc1
SPLASH splash10-0pc0-5090000000-ff7f1fea1e1727fd6398
Source of Spectrum AT-32-6722-7
Synonyms 2,6-endo,exo-Dicyano-1-(phenylethynyl)-4-methylbicyclo[2.2.0]hexane 2,6-exo,exo-Dicyano-1-(phenylethynyl)-4-methylbicyclo[2.2.0]hexane 4-Methyl-1-(phenylethynyl)bicyclo[2.2.0]hexane-2,6-dicarbonitrile
Wiley ID 836156