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4-Butoxy-2,4-diphenyl-1-(2-phenylethynyl)cyclobuten-3-one
SpectraBase Compound ID IC6zFwY6wCK
InChI InChI=1S/C28H24O2/c1-2-3-21-30-28(24-17-11-6-12-18-24)25(20-19-22-13-7-4-8-14-22)26(27(28)29)23-15-9-5-10-16-23/h4-18H,2-3,21H2,1H3
InChIKey VGRJYHGCWOGNFN-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C28H24O2
Exact Mass 392.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpQYoD7SDS8
Name 4-Butoxy-2,4-diphenyl-1-(2-phenylethynyl)cyclobuten-3-one
Alternate Name(s) 4-Butoxy-2,4-diphenyl-3-(phenylethynyl)-2-cyclobuten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O2
InChI InChI=1S/C28H24O2/c1-2-3-21-30-28(24-17-11-6-12-18-24)25(20-19-22-13-7-4-8-14-22)26(27(28)29)23-15-9-5-10-16-23/h4-18H,2-3,21H2,1H3
InChIKey VGRJYHGCWOGNFN-UHFFFAOYSA-N
Molecular Weight 392.498 g/mol
SMILES C=1(C(c2ccccc2)(OCCCC)C(C1c1ccccc1)=O)C#Cc1ccccc1
SPLASH splash10-0pdi-3982000000-e9de037fead2545b77c8
Source of Spectrum C-118-2174-6
Wiley ID 759654