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N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide
SpectraBase Compound ID IWF3cFhOa9s
InChI InChI=1S/C17H13N3O8/c1-9(21)13-7-15-16(28-3-2-27-15)8-14(13)18-17(22)10-4-11(19(23)24)6-12(5-10)20(25)26/h4-8H,2-3H2,1H3,(H,18,22)
InChIKey ILTQMOHMUDWYPM-UHFFFAOYSA-N
Mol Weight 387.3 g/mol
Molecular Formula C17H13N3O8
Exact Mass 387.070264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iLoQ3aUHg5
Name N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitrobenzamide
Alternate Name(s) N-(7-ethanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dinitro-benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O8
InChI InChI=1S/C17H13N3O8/c1-9(21)13-7-15-16(28-3-2-27-15)8-14(13)18-17(22)10-4-11(19(23)24)6-12(5-10)20(25)26/h4-8H,2-3H2,1H3,(H,18,22)
InChIKey ILTQMOHMUDWYPM-UHFFFAOYSA-N
Molecular Weight 387.304 g/mol
SMILES N(c1c(cc2c(c1)OCCO2)C(=O)C)C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH splash10-002u-9717000000-9756eea1ee42e0003e3f
Source of Spectrum IY-2-5104-9
Wiley ID 1659032