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3-(p-Methoxyphenyl)-4-(3-methyl-4-nitro-5-isoxazolyl)butyrophenone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

3-(p-Methoxyphenyl)-4-(3-methyl-4-nitro-5-isoxazolyl)butyrophenone
SpectraBase Compound ID CUO7fkH3NDP
InChI InChI=1S/C21H20N2O5/c1-14-21(23(25)26)20(28-22-14)13-17(15-8-10-18(27-2)11-9-15)12-19(24)16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKey GLDXLOWNTHMGJR-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C21H20N2O5
Exact Mass 380.137222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlSAFI6VMvt
Name 3-(p-Methoxyphenyl)-4-(3-methyl-4-nitro-5-isoxazolyl)butyrophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.137221747 u
Formula C21H20N2O5
InChI InChI=1S/C21H20N2O5/c1-14-21(23(25)26)20(28-22-14)13-17(15-8-10-18(27-2)11-9-15)12-19(24)16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKey GLDXLOWNTHMGJR-UHFFFAOYSA-N
Molecular Weight 380.400 g/mol
SMILES N(=O)(=O)C1=C(ON=C1C)CC(CC(C=1C=CC=CC1)=O)C=1C=CC(=CC1)OC