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6,7,8-trinitro-3,4-dihydro-2H-1,5-benzodioxepin
SpectraBase Compound ID Cxj4eCDtldI
InChI InChI=1S/C9H7N3O8/c13-10(14)5-4-6-9(20-3-1-2-19-6)8(12(17)18)7(5)11(15)16/h4H,1-3H2
InChIKey RCZGXFNCXCYCFE-UHFFFAOYSA-N
Mol Weight 285.17 g/mol
Molecular Formula C9H7N3O8
Exact Mass 285.023314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNcU0001qDr
Name 6,7,8-trinitro-3,4-dihydro-2H-1,5-benzodioxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O8
InChI InChI=1S/C9H7N3O8/c13-10(14)5-4-6-9(20-3-1-2-19-6)8(12(17)18)7(5)11(15)16/h4H,1-3H2
InChIKey RCZGXFNCXCYCFE-UHFFFAOYSA-N
Molecular Weight 285.168 g/mol
SMILES c1(c(N(=O)=O)c2OCCCOc2cc1N(=O)=O)N(=O)=O
SPLASH splash10-000l-9140000000-e4038f1f389561d1b55d
Source of Spectrum Y-28-1113-6
Synonyms 6,7,8-trinitro-3,4-dihydro-2H-1,5-benzodioxepine
Wiley ID 1288661