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1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-trifluoromethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one

View entire compound with spectra: 1 MS (GC)

1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-trifluoromethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID KjIQZIhtTY5
InChI InChI=1S/C12H12F3N3O5/c13-12(14,15)5-1-7(20)17-10-4(5)2-16-18(10)11-9(22)8(21)6(3-19)23-11/h1-2,6,8-9,11,19,21-22H,3H2,(H,17,20)/t6-,8-,9-,11-/m1/s1
InChIKey DDIJEYYKCUXNBA-PNHWDRBUSA-N
Mol Weight 335.24 g/mol
Molecular Formula C12H12F3N3O5
Exact Mass 335.072905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R6piSnutKr
Name 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-4-trifluoromethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
Alternate Name(s) 1-(.beta.,D-Ribofuranoyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3N3O5
InChI InChI=1S/C12H12F3N3O5/c13-12(14,15)5-1-7(20)17-10-4(5)2-16-18(10)11-9(22)8(21)6(3-19)23-11/h1-2,6,8-9,11,19,21-22H,3H2,(H,17,20)/t6-,8-,9-,11-/m1/s1
InChIKey DDIJEYYKCUXNBA-PNHWDRBUSA-N
Molecular Weight 335.239 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(C(C(F)(F)F)=CC(N2)=O)cn1)[H])(CO)[H])[H]
SPLASH splash10-054o-1692000000-d408ce588a8e7e5e920a
Source of Spectrum F4-41-737-16e
Wiley ID 1671988