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1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione, 2ac derivative
SpectraBase Compound ID LQXRWUo1NoW
InChI InChI=1S/C23H32N2O8/c1-14(2)7-6-8-15(3)10-12-30-13-18-20(31-16(4)26)21(32-17(5)27)22(33-18)25-11-9-19(28)24-23(25)29/h7,9-11,18,20-22H,6,8,12-13H2,1-5H3,(H,24,28,29)/b15-10+
InChIKey HSXUBXTZOUGVPO-XNTDXEJSSA-N
Mol Weight 464.5 g/mol
Molecular Formula C23H32N2O8
Exact Mass 464.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCyI2PDpGpX
Name 1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 464.215865990 u
Formula C23H32N2O8
InChI InChI=1S/C23H32N2O8/c1-14(2)7-6-8-15(3)10-12-30-13-18-20(31-16(4)26)21(32-17(5)27)22(33-18)25-11-9-19(28)24-23(25)29/h7,9-11,18,20-22H,6,8,12-13H2,1-5H3,(H,24,28,29)/b15-10+
InChIKey HSXUBXTZOUGVPO-XNTDXEJSSA-N
Molecular Weight 464.515 g/mol
SMILES C1(NC(C=CN1C1OC(COC\C=C\(CCC=C(C)C)C)C(C1OC(=O)C)OC(=O)C)=O)=O