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1H-Imidazole, 5-bromo-4-nitro-1-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
SpectraBase Compound ID IoJLbyHT7MM
InChI InChI=1S/C17H20BrN3O11/c1-7(22)28-5-11-12(29-8(2)23)13(30-9(3)24)14(31-10(4)25)17(32-11)20-6-19-16(15(20)18)21(26)27/h6,11-14,17H,5H2,1-4H3/t11-,12-,13+,14-,17-/m1/s1
InChIKey BWILKAMFHFQTMU-GODIYZJISA-N
Mol Weight 522.26 g/mol
Molecular Formula C17H20BrN3O11
Exact Mass 521.028121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eOpDMmeA2B
Name 1H-Imidazole, 5-bromo-4-nitro-1-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
CAS Registry Number 58808-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20BrN3O11
InChI InChI=1S/C17H20BrN3O11/c1-7(22)28-5-11-12(29-8(2)23)13(30-9(3)24)14(31-10(4)25)17(32-11)20-6-19-16(15(20)18)21(26)27/h6,11-14,17H,5H2,1-4H3/t11-,12-,13+,14-,17-/m1/s1
InChIKey BWILKAMFHFQTMU-GODIYZJISA-N
Molecular Weight 522.261 g/mol
SMILES [C@@]1([n]2c(c(N(=O)=O)nc2)Br)([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-067l-3902000000-9b7cf56724a5650d7250
Source of Spectrum B-31-1110-0
Synonyms 5-Bromo-4-nitro-1-(tetra-O-acetyl-.beta.-D-glucopyranosyl)imidazole [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(5-bromo-4-nitro-1H-imidazol-1-yl)oxan-2-yl]methyl acetate
Wiley ID 1402095