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Isoxazole, 5-(4-methylphenyl)-4-nitro-3-phenyl-

View entire compound with spectra: 2 MS (GC)

Isoxazole, 5-(4-methylphenyl)-4-nitro-3-phenyl-
SpectraBase Compound ID KvN7mCU4vkS
InChI InChI=1S/C16H12N2O3/c1-11-7-9-13(10-8-11)16-15(18(19)20)14(17-21-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey FSRBSTKSZSEXQX-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 BY740l1xh2M
Name Isoxazole, 5-(4-methylphenyl)-4-nitro-3-phenyl-
Alternate Name(s) 5-(4-Methylphenyl)-4-nitro-3-phenylisoxazole 5-(4-Methylphenyl)-4-nitro-3-phenyl-1,2-oxazole
CAS Registry Number 66692-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O3
InChI InChI=1S/C16H12N2O3/c1-11-7-9-13(10-8-11)16-15(18(19)20)14(17-21-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey FSRBSTKSZSEXQX-UHFFFAOYSA-N
Molecular Weight 280.283 g/mol
SMILES c1(c(onc1-c1ccccc1)-c1ccc(cc1)C)N(=O)=O
SPLASH splash10-014i-0930000000-a855e8b8f03f520d402f
Source of Spectrum O-22-551-2
Wiley ID 1283896