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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Lgk2FwcDiUE
Name 3-Phenyl-5-isoxazolone
Source of Sample Aldrich
Catalog Number P26783
CAS Registry Number 1076-59-1
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. 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
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_10593