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6,9-Dinitro-3,4-dihydro-2H-1,5-benzodioxepin
SpectraBase Compound ID Cdz4DdvY2IN
InChI InChI=1S/C9H8N2O6/c12-10(13)6-2-3-7(11(14)15)9-8(6)16-4-1-5-17-9/h2-3H,1,4-5H2
InChIKey PMQBMHTZZPEUFQ-UHFFFAOYSA-N
Mol Weight 240.17 g/mol
Molecular Formula C9H8N2O6
Exact Mass 240.038236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OA8mmqS691
Name 6,9-Dinitro-3,4-dihydro-2H-1,5-benzodioxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O6
InChI InChI=1S/C9H8N2O6/c12-10(13)6-2-3-7(11(14)15)9-8(6)16-4-1-5-17-9/h2-3H,1,4-5H2
InChIKey PMQBMHTZZPEUFQ-UHFFFAOYSA-N
Molecular Weight 240.171 g/mol
SMILES c1(c2c(OCCCO2)c(cc1)N(=O)=O)N(=O)=O
SPLASH splash10-0006-9260000000-c217bffa3a51b5968696
Source of Spectrum Y-28-631-7
Synonyms 6,9-Dinitro-3,4-dihydro-2H-1,5-benzodioxepine
Wiley ID 1242361