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7-Chloro-5-(2',3',5'-tris-O-benzoyl-.beta.-D-ribofuranosyl)]-[1,3]-thiazolo[4,5-c]pyridazin-6(5H)-one
SpectraBase Compound ID 6qsdz5n4jr5
InChI InChI=1S/C31H22ClN3O8S/c32-22-25-26(33-17-44-25)34-35(27(22)36)28-24(43-31(39)20-14-8-3-9-15-20)23(42-30(38)19-12-6-2-7-13-19)21(41-28)16-40-29(37)18-10-4-1-5-11-18/h1-15,17,21,23-24,28H,16H2
InChIKey WKMSGOBOMGJGEU-UHFFFAOYSA-N
Mol Weight 632.04 g/mol
Molecular Formula C31H22ClN3O8S
Exact Mass 631.081614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZs3dwnPG74
Name 7-Chloro-5-(2',3',5'-tris-O-benzoyl-.beta.-D-ribofuranosyl)]-[1,3]-thiazolo[4,5-c]pyridazin-6(5H)-one
Alternate Name(s) 4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-{4-chloro-3-oxo-2H,3H-pyridazino[3,4-d][1,3]thiazol-2-yl}oxolan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22ClN3O8S
InChI InChI=1S/C31H22ClN3O8S/c32-22-25-26(33-17-44-25)34-35(27(22)36)28-24(43-31(39)20-14-8-3-9-15-20)23(42-30(38)19-12-6-2-7-13-19)21(41-28)16-40-29(37)18-10-4-1-5-11-18/h1-15,17,21,23-24,28H,16H2
InChIKey WKMSGOBOMGJGEU-UHFFFAOYSA-N
Molecular Weight 632.043 g/mol
SMILES C1(N2C(C(Cl)=C3C(=N2)N=CS3)=O)C(C(OC(=O)c2ccccc2)C(O1)COC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-0931100000-307ec68221132c9daf4e
Source of Spectrum Y-29-1413-3
Wiley ID 1412145