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1-[5'-O-Acetyl-3'-phthalimido-2',3',6'-trideoxy-.alpha.-L-ribo-hexofuranosyl]thymine
SpectraBase Compound ID 1qD8stvfFb
InChI InChI=1S/C21H21N3O7/c1-10-9-23(21(29)22-18(10)26)16-8-15(17(31-16)11(2)30-12(3)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,11,15-17H,8H2,1-3H3,(H,22,26,29)/t11?,15-,16-,17-/m0/s1
InChIKey GJKVGHBACKLCOR-NFQUASFCSA-N
Mol Weight 427.41 g/mol
Molecular Formula C21H21N3O7
Exact Mass 427.13795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HamY7Wo1AGc
Name 1-[5'-O-Acetyl-3'-phthalimido-2',3',6'-trideoxy-.alpha.-L-ribo-hexofuranosyl]thymine
Alternate Name(s) 1-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]ethyl acetate 1-[5'-O-Acetyl-3'-phthalimido-2',3',6'-trideoxy-.beta.-L-ribo-hexofuranosyl]thymine
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Formula C21H21N3O7
InChI InChI=1S/C21H21N3O7/c1-10-9-23(21(29)22-18(10)26)16-8-15(17(31-16)11(2)30-12(3)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,11,15-17H,8H2,1-3H3,(H,22,26,29)/t11?,15-,16-,17-/m0/s1
InChIKey GJKVGHBACKLCOR-NFQUASFCSA-N
Molecular Weight 427.413 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(C[C@](N2C(c3ccccc3C2=O)=O)([C@@](O1)(C(OC(=O)C)C)[H])[H])[H])C)=O
SPLASH splash10-0f6t-9105000000-a9483dc5987bc34b9586
Source of Spectrum SB-45-618-8
Wiley ID 744821