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4-(4-Methylphenyl)but-3-yn-2-one
SpectraBase Compound ID BnHGoml4Unc
InChI InChI=1S/C11H10O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,1-2H3
InChIKey IBBJVOOWGINANG-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C11H10O
Exact Mass 158.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yLvDFFbKhR
Name 4-(4-Methylphenyl)but-3-yn-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H10O
InChI InChI=1S/C11H10O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-4,6-7H,1-2H3
InChIKey IBBJVOOWGINANG-UHFFFAOYSA-N
Molecular Weight 158.200 g/mol
SMILES C(#Cc1ccc(cc1)C)C(=O)C
SPLASH splash10-0006-0900000000-4c0680fd57ef6602f347
Source of Spectrum AT-32-7092-3
Synonyms 4-(4-methylphenyl)-3-butyn-2-one 4-(p-Tolyl)but-3-yn-2-one
Wiley ID 836134