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N-[1-(4-Hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]benzamide
SpectraBase Compound ID Itoq1ZBbLXB
InChI InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(22)17-16(19)18-15(23)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)
InChIKey VRWBWVDVXRQDQC-UHFFFAOYSA-N
Mol Weight 331.33 g/mol
Molecular Formula C16H17N3O5
Exact Mass 331.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFBikJCj10T
Name N-[1-(4-Hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 331.116820654 u
Formula C16H17N3O5
InChI InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(22)17-16(19)18-15(23)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)
InChIKey VRWBWVDVXRQDQC-UHFFFAOYSA-N
Molecular Weight 331.328 g/mol
SMILES C=1C(=O)N=C(N(C1)C1CC(C(CO)O1)O)NC(C1=CC=CC=C1)=O