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6-Methyl-4-(perfluoroethyl)-1-(2,3-o-isopropylidene-,beta.,D-ribofuranosyl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 1UHSZTZ4p0u
InChI InChI=1S/C17H18F5N3O4/c1-7-4-9(16(18,19)17(20,21)22)8-5-23-25(13(8)24-7)14-12-11(10(6-26)27-14)28-15(2,3)29-12/h4-5,10-12,14,26H,6H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKey ZMEJIKQUBODCEM-HKUMRIAESA-N
Mol Weight 423.34 g/mol
Molecular Formula C17H18F5N3O4
Exact Mass 423.121747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65CLfHaAXBZ
Name 6-Methyl-4-(perfluoroethyl)-1-(2,3-o-isopropylidene-,beta.,D-ribofuranosyl)-1H-pyrazolo[3,4-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18F5N3O4
InChI InChI=1S/C17H18F5N3O4/c1-7-4-9(16(18,19)17(20,21)22)8-5-23-25(13(8)24-7)14-12-11(10(6-26)27-14)28-15(2,3)29-12/h4-5,10-12,14,26H,6H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKey ZMEJIKQUBODCEM-HKUMRIAESA-N
Molecular Weight 423.340 g/mol
SMILES OC[C@]1(O[C@@]([n]2c3c(c(C(C(F)(F)F)(F)F)cc(n3)C)cn2)([C@]2([C@@]1(OC(O2)(C)C)[H])[H])[H])[H]
SPLASH splash10-0fka-1091300000-e6b63bd10a0a453518ef
Source of Spectrum F4-41-736-13g
Synonyms [(3aR,4R,6R,6aR)-2,2-Dimethyl-6-(6-methyl-4-pentafluoroethyl-pyrazolo[3,4-b]pyridin-1-yl)-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-methanol
Wiley ID 1671997