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1-[5,6-bis( o-Acetyl)-3'-phthalimido-2',3'-dideoxy-.alpha.-D-arabino-hexafuranosyl]-uracil
SpectraBase Compound ID G5AEIilkfo5
InChI InChI=1S/C22H21N3O9/c1-11(26)32-10-16(33-12(2)27)19-15(9-18(34-19)24-8-7-17(28)23-22(24)31)25-20(29)13-5-3-4-6-14(13)21(25)30/h3-8,15-16,18-19H,9-10H2,1-2H3,(H,23,28,31)
InChIKey HSIIKZKPMSXPQB-UHFFFAOYSA-N
Mol Weight 471.42 g/mol
Molecular Formula C22H21N3O9
Exact Mass 471.127779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABDFqTNv6mO
Name 1-[5,6-bis( o-Acetyl)-3'-phthalimido-2',3'-dideoxy-.alpha.-D-arabino-hexafuranosyl]-uracil
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.127779259 u
Formula C22H21N3O9
InChI InChI=1S/C22H21N3O9/c1-11(26)32-10-16(33-12(2)27)19-15(9-18(34-19)24-8-7-17(28)23-22(24)31)25-20(29)13-5-3-4-6-14(13)21(25)30/h3-8,15-16,18-19H,9-10H2,1-2H3,(H,23,28,31)
InChIKey HSIIKZKPMSXPQB-UHFFFAOYSA-N
Molecular Weight 471.422 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)C1C(OC(N2C(NC(C=C2)=O)=O)C1)C(OC(=O)C)COC(=O)C)=O