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3-(2,3-Diacetoxypropyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazoline
SpectraBase Compound ID 96g535PBfyk
InChI InChI=1S/C15H16N2O6/c1-9(18)22-8-11(23-10(2)19)7-17-14(20)12-5-3-4-6-13(12)16-15(17)21/h3-6,11H,7-8H2,1-2H3,(H,16,21)
InChIKey UONYJSBRLXHRPZ-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C15H16N2O6
Exact Mass 320.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l13xqy46rc
Name 3-(2,3-Diacetoxypropyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazoline
Comments Computed using HOSE algorithm
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Exact Mass 320.100836237 u
Formula C15H16N2O6
InChI InChI=1S/C15H16N2O6/c1-9(18)22-8-11(23-10(2)19)7-17-14(20)12-5-3-4-6-13(12)16-15(17)21/h3-6,11H,7-8H2,1-2H3,(H,16,21)
InChIKey UONYJSBRLXHRPZ-UHFFFAOYSA-N
Molecular Weight 320.301 g/mol
SMILES C12=C(NC(N(C2=O)CC(OC(C)=O)COC(C)=O)=O)C=CC=C1