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1-(.beta.,D-Ribofuranoyl)-4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridine6(7H)-one

View entire compound with spectra: 1 MS (GC)

1-(.beta.,D-Ribofuranoyl)-4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridine6(7H)-one
SpectraBase Compound ID 6BMBR0CP3e
InChI InChI=1S/C12H13F2N3O5/c13-10(14)4-1-7(19)16-11-5(4)2-15-17(11)12-9(21)8(20)6(3-18)22-12/h1-2,6,8-10,12,18,20-21H,3H2,(H,16,19)/t6-,8-,9-,12-/m1/s1
InChIKey SYLXNGHGPVQZOE-WOUKDFQISA-N
Mol Weight 317.25 g/mol
Molecular Formula C12H13F2N3O5
Exact Mass 317.082327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjSuPQBUTnC
Name 1-(.beta.,D-Ribofuranoyl)-4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridine6(7H)-one
Alternate Name(s) 4-Difluoromethyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F2N3O5
InChI InChI=1S/C12H13F2N3O5/c13-10(14)4-1-7(19)16-11-5(4)2-15-17(11)12-9(21)8(20)6(3-18)22-12/h1-2,6,8-10,12,18,20-21H,3H2,(H,16,19)/t6-,8-,9-,12-/m1/s1
InChIKey SYLXNGHGPVQZOE-WOUKDFQISA-N
Molecular Weight 317.249 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(C(C(F)F)=CC(N2)=O)cn1)[H])(CO)[H])[H]
SPLASH splash10-001i-0982000000-c9dfa724710c5410fcb2
Source of Spectrum F4-41-738-16f
Wiley ID 1671987