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2H-3,1-benzoxazine, 4,4-diethyl-1,4-dihydro-2-(2,4,6-trinitrophenyl)-
SpectraBase Compound ID AOoGZolYYKH
InChI InChI=1S/C18H18N4O7/c1-3-18(4-2)12-7-5-6-8-13(12)19-17(29-18)16-14(21(25)26)9-11(20(23)24)10-15(16)22(27)28/h5-10,17,19H,3-4H2,1-2H3
InChIKey NUBQYGLCQYFNJN-UHFFFAOYSA-N
Mol Weight 402.36 g/mol
Molecular Formula C18H18N4O7
Exact Mass 402.117549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWgslp1Jjw3
Name 4,4-Diethyl-2-(2,4,6-trinitrophenyl)-1,2-dihydro-3,1-benzoxazine
Alternate Name(s) 4,4-Diethyl-2-(2,4,6-trinitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine 4,4-Diethyl-2-picryl-1,2-dihydro-3,1-benzoxazine
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Formula C18H18N4O7
InChI InChI=1S/C18H18N4O7/c1-3-18(4-2)12-7-5-6-8-13(12)19-17(29-18)16-14(21(25)26)9-11(20(23)24)10-15(16)22(27)28/h5-10,17,19H,3-4H2,1-2H3
InChIKey NUBQYGLCQYFNJN-UHFFFAOYSA-N
Molecular Weight 402.363 g/mol
SMILES N1c2ccccc2C(OC1c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)(CC)CC
SPLASH splash10-00di-1934000000-cc142ed50fec78222f4b
Wiley ID 1460165