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3-Cyano-1-(2-phenylethynyl)-2-(prop-1-yn-1-yl)cyclobutene
SpectraBase Compound ID Dqvuws9GK2W
InChI InChI=1S/C16H11N/c1-2-6-16-14(11-15(16)12-17)10-9-13-7-4-3-5-8-13/h3-5,7-8,15H,11H2,1H3
InChIKey GGPOAPUAUYZSLC-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C16H11N
Exact Mass 217.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A06f2tip9dZ
Name 3-Cyano-1-(2-phenylethynyl)-2-(prop-1-yn-1-yl)cyclobutene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N
InChI InChI=1S/C16H11N/c1-2-6-16-14(11-15(16)12-17)10-9-13-7-4-3-5-8-13/h3-5,7-8,15H,11H2,1H3
InChIKey GGPOAPUAUYZSLC-UHFFFAOYSA-N
Molecular Weight 217.271 g/mol
SMILES C1(=C(C#CC)C(C1)C#N)C#Cc1ccccc1
SPLASH splash10-014i-0490000000-2636cadf4b2876edd5af
Source of Spectrum AT-34-2146-2
Synonyms 3-(phenylethynyl)-2-(1-propynyl)-2-cyclobutene-1-carbonitrile
Wiley ID 852475