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4,5-Dicarbethoxy-1-(1',2',4',6'-tetra-O-acetyl-.alpha.,.beta.-D-glucofuranos-3'-yl)-1,2,3-triazole
SpectraBase Compound ID DAD2Bnclko2
InChI InChI=1S/C22H29N3O13/c1-7-32-20(30)15-16(21(31)33-8-2)25(24-23-15)17-18(35-11(4)27)14(9-34-10(3)26)38-22(37-13(6)29)19(17)36-12(5)28/h14,17-19,22H,7-9H2,1-6H3/t14?,17-,18+,19+,22?/m0/s1
InChIKey IHHNZFHGRLRZSP-FHCWSXTPSA-N
Mol Weight 543.48 g/mol
Molecular Formula C22H29N3O13
Exact Mass 543.170038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbUOxdWEcEe
Name 4,5-Dicarbethoxy-1-(1',2',4',6'-tetra-O-acetyl-.alpha.,.beta.-D-glucofuranos-3'-yl)-1,2,3-triazole
Alternate Name(s) 4,5-Diethyl 1-[(3R,4S,5S)-2,3,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-4-yl]-1H-1,2,3-triazole-4,5-dicarboxylate
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Formula C22H29N3O13
InChI InChI=1S/C22H29N3O13/c1-7-32-20(30)15-16(21(31)33-8-2)25(24-23-15)17-18(35-11(4)27)14(9-34-10(3)26)38-22(37-13(6)29)19(17)36-12(5)28/h14,17-19,22H,7-9H2,1-6H3/t14?,17-,18+,19+,22?/m0/s1
InChIKey IHHNZFHGRLRZSP-FHCWSXTPSA-N
Molecular Weight 543.482 g/mol
SMILES c1([n](nnc1C(=O)OCC)[C@@]1([C@](C(OC(=O)C)OC([C@]1(OC(=O)C)[H])COC(=O)C)(OC(=O)C)[H])[H])C(=O)OCC
SPLASH splash10-01ox-7191000000-33e9dc7479aecbb182de
Source of Spectrum F-55-10519-16
Wiley ID 839013