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(2R,3R,4S,5R)-2-(2,4-Bis-trifluoromethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
SpectraBase Compound ID G68lyTYAizP
InChI InChI=1S/C13H11F6N3O4/c14-12(15,16)8-4-1-2-22(9(4)21-11(20-8)13(17,18)19)10-7(25)6(24)5(3-23)26-10/h1-2,5-7,10,23-25H,3H2/t5-,6-,7-,10-/m1/s1
InChIKey LFBMVQGNZQVRAT-DAGMQNCNSA-N
Mol Weight 387.24 g/mol
Molecular Formula C13H11F6N3O4
Exact Mass 387.065375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15ITsd9IfY
Name (2R,3R,4S,5R)-2-(2,4-Bis-trifluoromethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Alternate Name(s) 1-(.beta.-D-Ribofuranosyl)-2,4-bis(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F6N3O4
InChI InChI=1S/C13H11F6N3O4/c14-12(15,16)8-4-1-2-22(9(4)21-11(20-8)13(17,18)19)10-7(25)6(24)5(3-23)26-10/h1-2,5-7,10,23-25H,3H2/t5-,6-,7-,10-/m1/s1
InChIKey LFBMVQGNZQVRAT-DAGMQNCNSA-N
Molecular Weight 387.238 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(nc(n2)C(F)(F)F)C(F)(F)F)cc1)[H])(CO)[H])[H]
SPLASH splash10-000i-0289000000-3d6a3e5eef0ea17883a2
Source of Spectrum F4-41-1856-22b
Wiley ID 1672474