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2-(3-Methyl-1,5-dinitro-3-aza-bicyclo[3.3.1]non-6-en-7-yl)-1,2-dihydro-benzo[d][1,3]oxazin-4-one
SpectraBase Compound ID 2Xpi0Ch8Vf9
InChI InChI=1S/C17H18N4O6/c1-19-9-16(20(23)24)6-11(7-17(8-16,10-19)21(25)26)14-18-13-5-3-2-4-12(13)15(22)27-14/h2-6,14,18H,7-10H2,1H3
InChIKey VNOFYBJUMRREBL-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C17H18N4O6
Exact Mass 374.122634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ctxg5QzZDf9
Name 2-(3-Methyl-1,5-dinitro-3-aza-bicyclo[3.3.1]non-6-en-7-yl)-1,2-dihydro-benzo[d][1,3]oxazin-4-one
Alternate Name(s) 2-(3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-7-yl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
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Formula C17H18N4O6
InChI InChI=1S/C17H18N4O6/c1-19-9-16(20(23)24)6-11(7-17(8-16,10-19)21(25)26)14-18-13-5-3-2-4-12(13)15(22)27-14/h2-6,14,18H,7-10H2,1H3
InChIKey VNOFYBJUMRREBL-UHFFFAOYSA-N
Molecular Weight 374.353 g/mol
SMILES N1c2c(C(OC1C1=CC3(N(=O)=O)CC(N(=O)=O)(CN(C3)C)C1)=O)cccc2
SPLASH splash10-0006-9410000000-1417fef7a0a43fe6d21a
Wiley ID 1453338