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Benzene, [(3,3,4,4-tetramethyl-2-phenyl-1-cyclobuten-1-yl)ethynyl]-
SpectraBase Compound ID AhxShU2URse
InChI InChI=1S/C22H22/c1-21(2)19(16-15-17-11-7-5-8-12-17)20(22(21,3)4)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKey JXBMTYZPYWYDGB-UHFFFAOYSA-N
Mol Weight 286.42 g/mol
Molecular Formula C22H22
Exact Mass 286.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lc0ELnNexgE
Name Benzene, [(3,3,4,4-tetramethyl-2-phenyl-1-cyclobuten-1-yl)ethynyl]-
CAS Registry Number 127946-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22
InChI InChI=1S/C22H22/c1-21(2)19(16-15-17-11-7-5-8-12-17)20(22(21,3)4)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKey JXBMTYZPYWYDGB-UHFFFAOYSA-N
Molecular Weight 286.418 g/mol
SMILES C1(=C(c2ccccc2)C(C1(C)C)(C)C)C#Cc1ccccc1
SPLASH splash10-0006-9040000000-d8f7222e9212fb2d0822
Source of Spectrum J-55-4549-11
Synonyms 1-Phenyl-2-(2-phenylethynyl)-3,3,4,4-tetramethylcyclobutene [3,3,4,4-tetramethyl-2-(phenylethynyl)-1-cyclobuten-1-yl]benzene
Wiley ID 1290538