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4-Chloro-6-(4-ethoxycarbonyl-3-phenylamino-5-oxo-2,5-dihydroisoxazolin-2-yl)-5-nitropyrimidine
SpectraBase Compound ID EaagVv5kZ1K
InChI InChI=1S/C16H12ClN5O6/c1-2-27-15(23)10-13(20-9-6-4-3-5-7-9)21(28-16(10)24)14-11(22(25)26)12(17)18-8-19-14/h3-8,20H,2H2,1H3
InChIKey WOXFXLGBWSJQPK-UHFFFAOYSA-N
Mol Weight 405.75 g/mol
Molecular Formula C16H12ClN5O6
Exact Mass 405.047611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4coZaqWKPKe
Name 4-Chloro-6-(4-ethoxycarbonyl-3-phenylamino-5-oxo-2,5-dihydroisoxazolin-2-yl)-5-nitropyrimidine
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN5O6
InChI InChI=1S/C16H12ClN5O6/c1-2-27-15(23)10-13(20-9-6-4-3-5-7-9)21(28-16(10)24)14-11(22(25)26)12(17)18-8-19-14/h3-8,20H,2H2,1H3
InChIKey WOXFXLGBWSJQPK-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c03
Molecular Weight 405.754 g/mol
SMILES N(C=1N(c2c(c(ncn2)Cl)[N+]([O-])=O)OC(C1C(OCC)=O)=O)c1ccccc1
SPLASH splash10-004i-9522000000-e2c784d7f13992a9e774
Source of Spectrum ARK-2009-26-11
Wiley ID 1869753