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4-[2-(4-cyanophenyl)ethynyl]benzonitrile
SpectraBase Compound ID DyQwaRWd0y3
InChI InChI=1S/C16H8N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H
InChIKey RODZDHZWUDEBGU-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C16H8N2
Exact Mass 228.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXkdZkuzIGv
Name Di(4-cyanophenyl)ethyne
Alternate Name(s) 4-[2-(4-Cyanophenyl)ethynyl]benzenecarbonitrile
CAS Registry Number 5216-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8N2
InChI InChI=1S/C16H8N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H
InChIKey RODZDHZWUDEBGU-UHFFFAOYSA-N
Molecular Weight 228.254 g/mol
SMILES C(#Cc1ccc(C#N)cc1)c1ccc(C#N)cc1
SPLASH splash10-004i-0190000000-ca1691d76ff00717fb8f
Source of Spectrum F-68-4878-6b
Wiley ID 1709063