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(4aR,7R,8aS)-1-(2-phenyl-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)-5-iodo-1H-pyrimidine-2,4-dione
SpectraBase Compound ID JSehiMzKO7l
InChI InChI=1S/C17H17IN2O5/c18-12-7-20(17(22)19-15(12)21)11-6-13-14(23-8-11)9-24-16(25-13)10-4-2-1-3-5-10/h1-5,7,11,13-14,16H,6,8-9H2,(H,19,21,22)/t11-,13+,14-,16?/m1/s1
InChIKey ZDXGSQJKKRCKSB-GVCFFYALSA-N
Mol Weight 456.24 g/mol
Molecular Formula C17H17IN2O5
Exact Mass 456.018217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBjs7kTGRey
Name (4aR,7R,8aS)-1-(2-phenyl-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)-5-iodo-1H-pyrimidine-2,4-dione
Appearance Colorless solid
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Formula C17H17IN2O5
InChI InChI=1S/C17H17IN2O5/c18-12-7-20(17(22)19-15(12)21)11-6-13-14(23-8-11)9-24-16(25-13)10-4-2-1-3-5-10/h1-5,7,11,13-14,16H,6,8-9H2,(H,19,21,22)/t11-,13+,14-,16?/m1/s1
InChIKey ZDXGSQJKKRCKSB-GVCFFYALSA-N
Ionization Type EI
Molecular Weight 456.236 g/mol
SMILES N1C(N(C=C(C1=O)I)[C@]1(CO[C@@]2(COC(O[C@]2(C1)[H])c1ccccc1)[H])[H])=O
SPLASH splash10-066r-9523000000-25a96da3fb71c5b99dd8
Source of Spectrum US20110070192A1
Thin-Layer Chromatography Rf = 0.32 (50% EtOAc-hexane)
Wiley ID 1861727