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2-(Penta-1,3-diyn-1-yl)-1,3-diphenylcyclobutene
SpectraBase Compound ID FdnsXctTvQd
InChI InChI=1S/C21H16/c1-2-3-6-15-19-20(17-11-7-4-8-12-17)16-21(19)18-13-9-5-10-14-18/h4-5,7-14,20H,16H2,1H3
InChIKey MDOUUQMSDJRVRO-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C21H16
Exact Mass 268.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8svkEXq7Rts
Name 2-(Penta-1,3-diyn-1-yl)-1,3-diphenylcyclobutene
Alternate Name(s) [2-(1,3-pentadiynyl)-3-phenyl-2-cyclobuten-1-yl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16
InChI InChI=1S/C21H16/c1-2-3-6-15-19-20(17-11-7-4-8-12-17)16-21(19)18-13-9-5-10-14-18/h4-5,7-14,20H,16H2,1H3
InChIKey MDOUUQMSDJRVRO-UHFFFAOYSA-N
Molecular Weight 268.359 g/mol
SMILES C1(=C(c2ccccc2)CC1c1ccccc1)C#CC#CC
SPLASH splash10-0udi-0290000000-c52418ae2cb2b98c2512
Source of Spectrum AT-34-2146-7
Wiley ID 852470