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5,6,7-Trinitro-1,4-benzodioxane
SpectraBase Compound ID 2ax5yfWMvwP
InChI InChI=1S/C8H5N3O8/c12-9(13)4-3-5-8(19-2-1-18-5)7(11(16)17)6(4)10(14)15/h3H,1-2H2
InChIKey JWGHEORPZNJONK-UHFFFAOYSA-N
Mol Weight 271.14 g/mol
Molecular Formula C8H5N3O8
Exact Mass 271.007664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3AVnfcs0bw
Name 5,6,7-Trinitro-1,4-benzodioxane
CAS Registry Number 135399-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5N3O8
InChI InChI=1S/C8H5N3O8/c12-9(13)4-3-5-8(19-2-1-18-5)7(11(16)17)6(4)10(14)15/h3H,1-2H2
InChIKey JWGHEORPZNJONK-UHFFFAOYSA-N
Molecular Weight 271.141 g/mol
SMILES c1(c(cc2c(c1N(=O)=O)OCCO2)N(=O)=O)N(=O)=O
SPLASH splash10-016r-9000000000-dcd01a5626ba4a1dcd1d
Synonyms 5,6,7-trinitro-2,3-dihydro-1,4-benzodioxin 5,6,7-Trinitro-2,3-dihydro-1,4-benzodioxine
Wiley ID 1469355