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5-Methyl-3-(3-phenyl-1-oxoprop-2-yn-1-yl)isoxazole
SpectraBase Compound ID 1NMAm8BGgEv
InChI InChI=1S/C13H9NO2/c1-10-9-12(14-16-10)13(15)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
InChIKey HCUBYPUMNNYGHZ-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C13H9NO2
Exact Mass 211.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPDSu3WTBLu
Name 5-Methyl-3-(3-phenyl-1-oxoprop-2-yn-1-yl)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2
InChI InChI=1S/C13H9NO2/c1-10-9-12(14-16-10)13(15)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
InChIKey HCUBYPUMNNYGHZ-UHFFFAOYSA-N
Molecular Weight 211.220 g/mol
SMILES c1(noc(c1)C)C(C#Cc1ccccc1)=O
SPLASH splash10-004i-1930000000-374b44f6a2ba7abb1b52
Source of Spectrum Y1-45-4938-5
Synonyms 1-(5-Methyl-3-isoxazolyl)-3-phenyl-2-propyn-1-one
Wiley ID 1622032