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Butan-1-one, 1-(2,3-dihydro-7,8-dinitro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID I6KdA4NeSMC
InChI InChI=1S/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3
InChIKey LBZOLFRVNUXILI-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C12H12N2O7
Exact Mass 296.064451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95BZlUuhFsG
Name Butan-1-one, 1-(2,3-dihydro-7,8-dinitro-1,4-benzodioxin-6-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O7
InChI InChI=1S/C12H12N2O7/c1-2-3-8(15)7-6-9-12(21-5-4-20-9)11(14(18)19)10(7)13(16)17/h6H,2-5H2,1H3
InChIKey LBZOLFRVNUXILI-UHFFFAOYSA-N
Molecular Weight 296.235 g/mol
SMILES c1(c(N(=O)=O)c2OCCOc2cc1C(=O)CCC)N(=O)=O
SPLASH splash10-0udl-9470000000-57f8a0c792f00b3df4bc
Source of Spectrum AD-0-2532-0
Synonyms 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-butanone 1-(5,6-dinitro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one 1-(7,8-Dinitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-butanone
Wiley ID 1434813