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4,4-Dimethyl-3-phenyl-5(4H)-isoxazolone
SpectraBase Compound ID C79f2KHXxUN
InChI InChI=1S/C11H11NO2/c1-11(2)9(12-14-10(11)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey HBYXZQZTNOVKPG-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LBgaaaA8Tl
Name 4,4-Dimethyl-3-phenyl-5(4H)-isoxazolone
Alternate Name(s) 3-Phenyl-4,4-dimethyl-isoxazol-5(4H)-one 4,4-Dimethyl-3-phenyl-1,2-oxazol-5-one 4,4-Dimethyl-3-phenyl-2-isoxazolin-5-one 4,4-Dimethyl-3-phenyl-5-isoxazolone 4,4-Dimethyl-3-phenyl-isoxazol-5-one
CAS Registry Number 51942-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-11(2)9(12-14-10(11)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey HBYXZQZTNOVKPG-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
SMILES c1ccc(cc1)C=1C(C(=O)ON1)(C)C
SPLASH splash10-00lr-1900000000-16718438748acd8e10bf
Source of Spectrum Y-22-294-3
Wiley ID 1185625