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2-{[(4-tert-Butyl)phenyl]ethynyl}-3-(4-methoxyphenyl)-1H-inden-1-one
SpectraBase Compound ID FPu8xOX956u
InChI InChI=1S/C28H24O2/c1-28(2,3)21-14-9-19(10-15-21)11-18-25-26(20-12-16-22(30-4)17-13-20)23-7-5-6-8-24(23)27(25)29/h5-10,12-17H,1-4H3
InChIKey WKYZNEYHVKMUJW-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 25TR8DT81yB
Name 2-{[(4-tert-Butyl)phenyl]ethynyl}-3-(4-methoxyphenyl)-1H-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O2
InChI InChI=1S/C28H24O2/c1-28(2,3)21-14-9-19(10-15-21)11-18-25-26(20-12-16-22(30-4)17-13-20)23-7-5-6-8-24(23)27(25)29/h5-10,12-17H,1-4H3
InChIKey WKYZNEYHVKMUJW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100315
Molecular Weight 392.498 g/mol
SMILES C1(C(=C(c2ccccc12)c1ccc(cc1)OC)C#Cc1ccc(cc1)C(C)(C)C)=O
SPLASH splash10-002f-0009000000-90730bcb8a2c8290f3bb
Source of Spectrum H-95-481-8b
Synonyms 2-((4-(tert-butyl)phenyl)ethynyl)-3-(4-methoxyphenyl)-1H-inden-1-one
Wiley ID 1786209