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1-(3'-Nitrobenzyl)-2,4-dinitrobenzene
SpectraBase Compound ID DcDf0FJNwH4
InChI InChI=1S/C13H9N3O6/c17-14(18)11-3-1-2-9(7-11)6-10-4-5-12(15(19)20)8-13(10)16(21)22/h1-5,7-8H,6H2
InChIKey NCXYGSGVVHNMRT-UHFFFAOYSA-N
Mol Weight 303.23 g/mol
Molecular Formula C13H9N3O6
Exact Mass 303.049135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSABuuYWxzD
Name 1-(3'-Nitrobenzyl)-2,4-dinitrobenzene
Alternate Name(s) 2,4-Dinitro-1-(3-nitrobenzyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N3O6
InChI InChI=1S/C13H9N3O6/c17-14(18)11-3-1-2-9(7-11)6-10-4-5-12(15(19)20)8-13(10)16(21)22/h1-5,7-8H,6H2
InChIKey NCXYGSGVVHNMRT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801715
Molecular Weight 303.230 g/mol
SMILES c1(c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])Cc1cccc(c1)[N+](=O)[O-]
SPLASH splash10-0w2l-0692000000-609b45daf78e15f6e7d3
Source of Spectrum ASC-361-SM11-11e
Wiley ID 1814055