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N-(7,8-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-9-yl)acetamide
SpectraBase Compound ID DQO9qmMF3iT
InChI InChI=1S/C12H13N3O7/c1-7(16)13-8-6-9-12(22-5-3-2-4-21-9)11(15(19)20)10(8)14(17)18/h6H,2-5H2,1H3,(H,13,16)
InChIKey CVXLXDVNKODAKZ-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 GFVJO0kOpMT
Name N-(7,8-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-9-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O7
InChI InChI=1S/C12H13N3O7/c1-7(16)13-8-6-9-12(22-5-3-2-4-21-9)11(15(19)20)10(8)14(17)18/h6H,2-5H2,1H3,(H,13,16)
InChIKey CVXLXDVNKODAKZ-UHFFFAOYSA-N
Molecular Weight 311.250 g/mol
SMILES N(c1c(c(N(=O)=O)c2c(c1)OCCCCO2)N(=O)=O)C(=O)C
SPLASH splash10-066u-9041000000-c0383c38efbc7c2aea4d
Source of Spectrum Y-28-1379-11
Synonyms N-(7,8-dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-9-yl)ethanamide
Wiley ID 1312220