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5-[3'-(2",3",5"-tris<Benzoyloxy>-.beta.-D-ribosyl)ureido]-1H-1,2,4-triazole
SpectraBase Compound ID AmUmlLCAy73
InChI InChI=1S/C29H25N5O8/c35-25(18-10-4-1-5-11-18)39-16-21-22(41-26(36)19-12-6-2-7-13-19)23(42-27(37)20-14-8-3-9-15-20)24(40-21)32-29(38)33-28-30-17-31-34-28/h1-15,17,21-24H,16H2,(H3,30,31,32,33,34,38)
InChIKey DVSUOCCSYDNOAB-UHFFFAOYSA-N
Mol Weight 571.55 g/mol
Molecular Formula C29H25N5O8
Exact Mass 571.170313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHPo8d652JG
Name 5-[3'-(2",3",5"-tris-.beta.-D-ribosyl)ureido]-1H-1,2,4-triazole
Comments Less than 3 mono-isotopic peaks
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Formula C29H25N5O8
InChI InChI=1S/C29H25N5O8/c35-25(18-10-4-1-5-11-18)39-16-21-22(41-26(36)19-12-6-2-7-13-19)23(42-27(37)20-14-8-3-9-15-20)24(40-21)32-29(38)33-28-30-17-31-34-28/h1-15,17,21-24H,16H2,(H3,30,31,32,33,34,38)
InChIKey DVSUOCCSYDNOAB-UHFFFAOYSA-N
Molecular Weight 571.546 g/mol
SMILES N(C1C(C(C(COC(=O)c2ccccc2)O1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(Nc1ncn[nH]1)=O
SPLASH splash10-00dj-0000590000-7d9fa50be725c7efce3c
Source of Spectrum G-69-914-6
Wiley ID 1559634