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3-Cyano-2-(penta-1,3-diyn-1-yl)-1-phenylcyclobutene
SpectraBase Compound ID 95HKBmPKRbL
InChI InChI=1S/C16H11N/c1-2-3-5-10-15-14(12-17)11-16(15)13-8-6-4-7-9-13/h4,6-9,14H,11H2,1H3
InChIKey WWJWMEVRVQBBRU-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 1GSXm0R1OIL
Name 3-Cyano-2-(penta-1,3-diyn-1-yl)-1-phenylcyclobutene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N
InChI InChI=1S/C16H11N/c1-2-3-5-10-15-14(12-17)11-16(15)13-8-6-4-7-9-13/h4,6-9,14H,11H2,1H3
InChIKey WWJWMEVRVQBBRU-UHFFFAOYSA-N
Molecular Weight 217.271 g/mol
SMILES C1(=C(C#CC#CC)C(C1)C#N)c1ccccc1
SPLASH splash10-02t9-0490000000-10d5e71ab7c4096186dc
Source of Spectrum AT-34-2145-1
Synonyms 2-(1,3-pentadiynyl)-3-phenyl-2-cyclobutene-1-carbonitrile
Wiley ID 852476