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2-Butyne-1,4-dione, 1-(2,3-dihydro-3,3-dimethyl-1H-inden-5-yl)-4-phenyl-
SpectraBase Compound ID 8echIz1MAIo
InChI InChI=1S/C21H18O2/c1-21(2)13-12-15-8-9-17(14-18(15)21)20(23)11-10-19(22)16-6-4-3-5-7-16/h3-9,14H,12-13H2,1-2H3
InChIKey LZOGINKZUYGQTF-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C21H18O2
Exact Mass 302.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FzbJc7cVxE
Name 2-Butyne-1,4-dione, 1-(2,3-dihydro-3,3-dimethyl-1H-inden-5-yl)-4-phenyl-
CAS Registry Number 84680-80-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O2
InChI InChI=1S/C21H18O2/c1-21(2)13-12-15-8-9-17(14-18(15)21)20(23)11-10-19(22)16-6-4-3-5-7-16/h3-9,14H,12-13H2,1-2H3
InChIKey LZOGINKZUYGQTF-UHFFFAOYSA-N
Molecular Weight 302.373 g/mol
SMILES C(#CC(=O)c1ccccc1)C(c1cc2C(CCc2cc1)(C)C)=O
SPLASH splash10-000i-0091000000-6658c53a1ad8f18b053f
Source of Spectrum C-105-1712-0
Synonyms 1-(1,1-Dimethyl-6-indanyl)-4-phenyl-2-butyne-1,4-dione 1-(3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-4-phenyl-2-butyne-1,4-dione
Wiley ID 1305197