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Ethyl 3-(4-nitrophenyl)amino-2-(5-nitropyrid-2-yl)-5-oxo-2,5-dihydroisoxazol-4-carboxylate
SpectraBase Compound ID 71XzB7rPzNW
InChI InChI=1S/C17H13N5O8/c1-2-29-16(23)14-15(19-10-3-5-11(6-4-10)21(25)26)20(30-17(14)24)13-8-7-12(9-18-13)22(27)28/h3-9,19H,2H2,1H3
InChIKey NYHUZVIRWVUEJO-UHFFFAOYSA-N
Mol Weight 415.32 g/mol
Molecular Formula C17H13N5O8
Exact Mass 415.076412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZdxcKsS3S7
Name Ethyl 3-(4-nitrophenyl)amino-2-(5-nitropyrid-2-yl)-5-oxo-2,5-dihydroisoxazol-4-carboxylate
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N5O8
InChI InChI=1S/C17H13N5O8/c1-2-29-16(23)14-15(19-10-3-5-11(6-4-10)21(25)26)20(30-17(14)24)13-8-7-12(9-18-13)22(27)28/h3-9,19H,2H2,1H3
InChIKey NYHUZVIRWVUEJO-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.e07
Molecular Weight 415.318 g/mol
Reported Formula C17H13N5O8
SMILES N(C1=C(C(ON1c1ccc(cn1)[N+]([O-])=O)=O)C(=O)OCC)c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-006x-9116000000-298d77b793e16c62fe98
Source of Spectrum ARK-2005-67-12c
Wiley ID 1870949