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3-Phenyl-5(4H)-isoxazolone

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 4 MS (GC)

3-Phenyl-5(4H)-isoxazolone
SpectraBase Compound ID JbdPlb9iaxe
InChI InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APH06hWk0IC
Name 3-Phenyl-2-isoxazolin-5-one
CAS Registry Number 1076-59-1
Comments EQUILIBRIUM WITH ENOL-FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N
Literature Reference C. Skoetsch, E. Breitmaier, Chemiker-Zeitung 102, 264 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3