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2'-Hydroxy-4-(3-methyl-4-nitro-5-isoxazolyl)-3-phenylbutyrophenone

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

2'-Hydroxy-4-(3-methyl-4-nitro-5-isoxazolyl)-3-phenylbutyrophenone
SpectraBase Compound ID 8tabh8JVfdF
InChI InChI=1S/C20H18N2O5/c1-13-20(22(25)26)19(27-21-13)12-15(14-7-3-2-4-8-14)11-18(24)16-9-5-6-10-17(16)23/h2-10,15,23H,11-12H2,1H3
InChIKey OWSSIPBHGAXKQD-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C20H18N2O5
Exact Mass 366.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OmqeFOn9DF
Name 2'-Hydroxy-4-(3-methyl-4-nitro-5-isoxazolyl)-3-phenylbutyrophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.121571683 u
Formula C20H18N2O5
InChI InChI=1S/C20H18N2O5/c1-13-20(22(25)26)19(27-21-13)12-15(14-7-3-2-4-8-14)11-18(24)16-9-5-6-10-17(16)23/h2-10,15,23H,11-12H2,1H3
InChIKey OWSSIPBHGAXKQD-UHFFFAOYSA-N
Molecular Weight 366.373 g/mol
SMILES N(=O)(=O)C=1C(=NOC1CC(CC(C=1C=CC=CC1O)=O)C=1C=CC=CC1)C