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1H-Imidazole-5-carbonitrile, 4-nitro-1-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
SpectraBase Compound ID HoRAIaBmfXl
InChI InChI=1S/C18H20N4O11/c1-8(23)29-6-13-14(30-9(2)24)15(31-10(3)25)16(32-11(4)26)18(33-13)21-7-20-17(22(27)28)12(21)5-19/h7,13-16,18H,6H2,1-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKey LSHAVVIDVHTHLW-XLKGFZLASA-N
Mol Weight 468.38 g/mol
Molecular Formula C18H20N4O11
Exact Mass 468.112857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtIyczoGRQt
Name 1H-Imidazole-5-carbonitrile, 4-nitro-1-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-
Alternate Name(s) 5-Cyano-4-nitro-1-(tetra-O-acetyl-.beta.-D-glucopyranosyl)imidazole [(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(5-cyano-4-nitro-1H-imidazol-1-yl)oxan-2-yl]methyl acetate
CAS Registry Number 67010-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N4O11
InChI InChI=1S/C18H20N4O11/c1-8(23)29-6-13-14(30-9(2)24)15(31-10(3)25)16(32-11(4)26)18(33-13)21-7-20-17(22(27)28)12(21)5-19/h7,13-16,18H,6H2,1-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKey LSHAVVIDVHTHLW-XLKGFZLASA-N
Molecular Weight 468.375 g/mol
SMILES c1(c([n]([C@]2([C@@]([C@@](OC(=O)C)([C@@]([C@](O2)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])cn1)C#N)N(=O)=O
SPLASH splash10-015c-5903000000-56af23dcff766e10d14d
Source of Spectrum B-31-1110-0
Wiley ID 1392272