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Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
SpectraBase Compound ID 4De3QuLcNCC
InChI InChI=1S/C12H9N3O5/c1-8-12(15(18)19)11(20-13-8)7-4-9-2-5-10(6-3-9)14(16)17/h2-7H,1H3/b7-4+
InChIKey KJXDVSXDXUKLKM-QPJJXVBHSA-N
Mol Weight 275.22 g/mol
Molecular Formula C12H9N3O5
Exact Mass 275.05422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx5VgsO44vf
Name Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
Alternate Name(s) 3-Methyl-4-nitro-5-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazole 3-Methyl-4-nitro-5-[(E)-2-(4-nitrophenyl)ethenyl]isoxazole 3-Methyl-4-nitro-5-[(E)-2-(4-nitrophenyl)vinyl]isoxazole
CAS Registry Number 78080-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O5
InChI InChI=1S/C12H9N3O5/c1-8-12(15(18)19)11(20-13-8)7-4-9-2-5-10(6-3-9)14(16)17/h2-7H,1H3/b7-4+
InChIKey KJXDVSXDXUKLKM-QPJJXVBHSA-N
Molecular Weight 275.220 g/mol
SMILES c1(N(=O)=O)c(onc1C)\C=C\c1ccc(N(=O)=O)cc1
SPLASH splash10-004i-0390000000-37a8d620eea42707609a
Source of Spectrum O-15-659-1
Wiley ID 1278877