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3-(4-Methylphenyl)-4-nitro-5-phenylisoxazole
SpectraBase Compound ID 3ZpdPbTCDjc
InChI InChI=1S/C16H12N2O3/c1-11-7-9-12(10-8-11)14-15(18(19)20)16(21-17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey BAYHRXOFAALTKG-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C16H12N2O3
Exact Mass 280.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UQqwQLSKub
Name 3-(4-Methylphenyl)-4-nitro-5-phenylisoxazole
CAS Registry Number 66692-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O3
InChI InChI=1S/C16H12N2O3/c1-11-7-9-12(10-8-11)14-15(18(19)20)16(21-17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey BAYHRXOFAALTKG-UHFFFAOYSA-N
Molecular Weight 280.283 g/mol
SMILES Cc1ccc(cc1)-c1c(c(-c2ccccc2)on1)N(=O)=O
SPLASH splash10-0a59-0920000000-35363313a2e066d18781
Source of Spectrum O-22-551-2
Synonyms 3-(4'-Tolyl)-5-phenyl-4-nitroisoxazole 3-(4-Methylphenyl)-4-nitro-5-phenyl-1,2-oxazole 3-(4-Methylphenyl)-5-phenyl-4-nitroisoxazole 4-Nitro-5-phenyl-3-(p-tolyl)isoxazole
Wiley ID 1283894