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2-[2-[2,4-diketo-1-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]pyrimidin-5-yl]ethyl]isoindoline-1,3-quinone
SpectraBase Compound ID 3nEgTeBigfW
InChI InChI=1S/C19H19N3O8/c23-12-8-30-18(14(25)13(12)24)22-7-9(15(26)20-19(22)29)5-6-21-16(27)10-3-1-2-4-11(10)17(21)28/h1-4,7,12-14,18,23-25H,5-6,8H2,(H,20,26,29)/t12-,13-,14-,18-/m1/s1
InChIKey SIIDOFWSBBPXNB-UHQDVWGKSA-N
Mol Weight 417.37 g/mol
Molecular Formula C19H19N3O8
Exact Mass 417.117215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26kFQk1m0tr
Name 2-[2-[2,4-diketo-1-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]pyrimidin-5-yl]ethyl]isoindoline-1,3-quinone
Compound Number 1682
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19N3O8
InChI InChI=1S/C19H19N3O8/c23-12-8-30-18(14(25)13(12)24)22-7-9(15(26)20-19(22)29)5-6-21-16(27)10-3-1-2-4-11(10)17(21)28/h1-4,7,12-14,18,23-25H,5-6,8H2,(H,20,26,29)/t12-,13-,14-,18-/m1/s1
InChIKey SIIDOFWSBBPXNB-UHQDVWGKSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 417.375 g/mol
Sample ID 2319
Solvent DMSO-D6