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Acetophenone, 2-[5-(m-nitrophenyl)-3-phenyl-2-isoxazolin-5-yl]-
SpectraBase Compound ID EYxjurQhWcz
InChI InChI=1S/C23H18N2O4/c26-22(18-10-5-2-6-11-18)16-23(19-12-7-13-20(14-19)25(27)28)15-21(24-29-23)17-8-3-1-4-9-17/h1-14H,15-16H2
InChIKey DFGLGNGWEPBZRA-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C23H18N2O4
Exact Mass 386.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CL4ildqtE
Name Acetophenone, 2-[5-(m-nitrophenyl)-3-phenyl-2-isoxazolin-5-yl]-
Alternate Name(s) 2-[5-(3-Nitrophenyl)-3-phenyl-4,5-dihydro-5-isoxazolyl]-1-phenylethanone 2-[5-(3-nitrophenyl)-3-phenyl-2-isoxazolin-5-yl]-1-phenyl-ethanone 2-[5-(3-nitrophenyl)-3-phenyl-4H-1,2-oxazol-5-yl]-1-phenyl-ethanone 2-[5-(3-nitrophenyl)-3-phenyl-4H-isoxazol-5-yl]-1-phenyl-ethanone 2-[5-(3-nitrophenyl)-3-phenyl-4H-isoxazol-5-yl]-1-phenylethanone
CAS Registry Number 29972-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18N2O4
InChI InChI=1S/C23H18N2O4/c26-22(18-10-5-2-6-11-18)16-23(19-12-7-13-20(14-19)25(27)28)15-21(24-29-23)17-8-3-1-4-9-17/h1-14H,15-16H2
InChIKey DFGLGNGWEPBZRA-UHFFFAOYSA-N
Molecular Weight 386.407 g/mol
SMILES c1ccc(cc1)C=1CC(CC(c2ccccc2)=O)(c2cccc(c2)N(=O)=O)ON1
SPLASH splash10-016r-6980000000-5691165632fa1aae9bdc
Source of Spectrum O-3-1044-1
Wiley ID 1362778