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4,6-Bis(4-ethoxycarbonyl-5-oxo-2,5-dihydroisoxazolin-2-yl)-5-nitropyrimidine
SpectraBase Compound ID 48uIaefcOEN
InChI InChI=1S/C16H13N5O10/c1-3-28-13(22)8-5-19(30-15(8)24)11-10(21(26)27)12(18-7-17-11)20-6-9(16(25)31-20)14(23)29-4-2/h5-7H,3-4H2,1-2H3
InChIKey HXBXCMWDTJKSNQ-UHFFFAOYSA-N
Mol Weight 435.31 g/mol
Molecular Formula C16H13N5O10
Exact Mass 435.066242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECuM2CrzF8N
Name 4,6-Bis(4-ethoxycarbonyl-5-oxo-2,5-dihydroisoxazolin-2-yl)-5-nitropyrimidine
Appearance White solid
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Formula C16H13N5O10
InChI InChI=1S/C16H13N5O10/c1-3-28-13(22)8-5-19(30-15(8)24)11-10(21(26)27)12(18-7-17-11)20-6-9(16(25)31-20)14(23)29-4-2/h5-7H,3-4H2,1-2H3
InChIKey HXBXCMWDTJKSNQ-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c03
Molecular Weight 435.305 g/mol
SMILES C1(ON(C=C1C(OCC)=O)c1c(c(ncn1)N1C=C(C(O1)=O)C(OCC)=O)[N+]([O-])=O)=O
SPLASH splash10-0udi-9000100000-9ed2255b4cf12423de55
Source of Spectrum ARK-2009-26-10
Wiley ID 1869752