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3',5'-O-Diacetyl-3-(3-iodobenzyl)-2'-deoxyuridine
SpectraBase Compound ID CoKqQEDQajl
InChI InChI=1S/C20H21IN2O7/c1-12(24)28-11-17-16(29-13(2)25)9-19(30-17)22-7-6-18(26)23(20(22)27)10-14-4-3-5-15(21)8-14/h3-8,16-17,19H,9-11H2,1-2H3
InChIKey QHHIVKGINBBFDE-UHFFFAOYSA-N
Mol Weight 528.3 g/mol
Molecular Formula C20H21IN2O7
Exact Mass 528.039346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GncGb9ocQiH
Name 3',5'-O-Diacetyl-3-(3-iodobenzyl)-2'-deoxyuridine
Alternate Name(s) [3-(acetyloxy)-5-{3-[(3-iodophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}oxolan-2-yl]methyl acetate
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Formula C20H21IN2O7
InChI InChI=1S/C20H21IN2O7/c1-12(24)28-11-17-16(29-13(2)25)9-19(30-17)22-7-6-18(26)23(20(22)27)10-14-4-3-5-15(21)8-14/h3-8,16-17,19H,9-11H2,1-2H3
InChIKey QHHIVKGINBBFDE-UHFFFAOYSA-N
Molecular Weight 528.299 g/mol
SMILES C1(N(C=CC(N1Cc1cc(I)ccc1)=O)C1OC(COC(=O)C)C(C1)OC(=O)C)=O
SPLASH splash10-0059-9045050000-e0f7639644bc98b8bc29
Source of Spectrum J-66-3612-2
Wiley ID 1535761