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4-(4-Methylbenzoyl)-3-methylisoxazol-5-one
SpectraBase Compound ID JCmNC3Y11Tm
InChI InChI=1S/C12H11NO3/c1-7-3-5-9(6-4-7)11(14)10-8(2)13-16-12(10)15/h3-6,13H,1-2H3
InChIKey XFOLXDKVGQPRLU-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NpmPp6fGRq
Name 4-(4-Methylbenzoyl)-3-methylisoxazol-5-one
Alternate Name(s) 3-Methyl-4-(4-methylbenzoyl)isoxazol-5(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-7-3-5-9(6-4-7)11(14)10-8(2)13-16-12(10)15/h3-6,13H,1-2H3
InChIKey XFOLXDKVGQPRLU-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES N1OC(C(=C1C)C(c1ccc(cc1)C)=O)=O
SPLASH splash10-014i-5900000000-82520275ecfb5df9fb1d
Source of Spectrum J-50-1384-7g
Wiley ID 1741090