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N-(7,9-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)acetamide
SpectraBase Compound ID BWivDb4m4hc
InChI InChI=1S/C12H13N3O7/c1-7(16)13-10-8(14(17)18)6-9-12(11(10)15(19)20)22-5-3-2-4-21-9/h6H,2-5H2,1H3,(H,13,16)
InChIKey GDAOWUKUTSXVPQ-UHFFFAOYSA-N
Mol Weight 311.25 g/mol
Molecular Formula C12H13N3O7
Exact Mass 311.07535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PBPBxU5pJL
Name N-(7,9-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)acetamide
Alternate Name(s) N-(7,9-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)ethanamide
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Formula C12H13N3O7
InChI InChI=1S/C12H13N3O7/c1-7(16)13-10-8(14(17)18)6-9-12(11(10)15(19)20)22-5-3-2-4-21-9/h6H,2-5H2,1H3,(H,13,16)
InChIKey GDAOWUKUTSXVPQ-UHFFFAOYSA-N
Molecular Weight 311.250 g/mol
SMILES N(c1c(N(=O)=O)cc2c(c1N(=O)=O)OCCCCO2)C(=O)C
SPLASH splash10-066r-9160000000-02ec70b25b7d6bcc57dc
Source of Spectrum Y-28-1379-11
Wiley ID 1312219