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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-imidazole-5-carboxamide
SpectraBase Compound ID 4cZjXIOhuyH
InChI InChI=1S/C13H12N4O5/c1-16-7-14-12(17(19)20)11(16)13(18)15-8-2-3-9-10(6-8)22-5-4-21-9/h2-3,6-7H,4-5H2,1H3,(H,15,18)
InChIKey ATXADUGNHJOJQO-UHFFFAOYSA-N
Mol Weight 304.26 g/mol
Molecular Formula C13H12N4O5
Exact Mass 304.080769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTw33X3BMlM
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-imidazole-5-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O5
InChI InChI=1S/C13H12N4O5/c1-16-7-14-12(17(19)20)11(16)13(18)15-8-2-3-9-10(6-8)22-5-4-21-9/h2-3,6-7H,4-5H2,1H3,(H,15,18)
InChIKey ATXADUGNHJOJQO-UHFFFAOYSA-N
Molecular Weight 304.262 g/mol
SMILES N(C(c1[n](cnc1N(=O)=O)C)=O)c1ccc2c(c1)OCCO2
SPLASH splash10-0f7o-9200000000-40be4d5bfa1f07dfc229
Source of Spectrum IY-2-5172-2
Synonyms N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-nitro-4-imidazolecarboxamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-nitroimidazole-4-carboxamide
Wiley ID 1659705