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3-Methyl-4-nitro-5-[(1E,3E)-4-phenyl-1,3-butadienyl]isoxazole
SpectraBase Compound ID 7zP5CG4aCId
InChI InChI=1S/C14H12N2O3/c1-11-14(16(17)18)13(19-15-11)10-6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey DKPBCIGIONEFBT-NXZHAISVSA-N
Mol Weight 256.26 g/mol
Molecular Formula C14H12N2O3
Exact Mass 256.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47WYDxb53ls
Name 3-Methyl-4-nitro-5-[(1E,3E)-4-phenyl-1,3-butadienyl]isoxazole
CAS Registry Number 53557-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O3
InChI InChI=1S/C14H12N2O3/c1-11-14(16(17)18)13(19-15-11)10-6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+
InChIKey DKPBCIGIONEFBT-NXZHAISVSA-N
Molecular Weight 256.261 g/mol
SMILES c1(noc(c1N(=O)=O)\C=C\C=C\c1ccccc1)C
SPLASH splash10-0a6r-2920000000-4b8c1d4dc3702e5f7137
Source of Spectrum AD-0-2532-0
Synonyms 3-Methyl-4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,2-oxazole 3-Methyl-4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]isoxazole Isoxazole, 3-methyl-4-nirto-5-(4-phenylbuta-1,3-dienyl)-
Wiley ID 1421305