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[3-[(2R,5S)-5-(2,2-dimethylpropanoyloxymethoxymethyl)oxolan-2-yl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl 2,2-dimethylpropanoate

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[3-[(2R,5S)-5-(2,2-dimethylpropanoyloxymethoxymethyl)oxolan-2-yl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl 2,2-dimethylpropanoate
SpectraBase Compound ID 4XXHP7RFOBn
InChI InChI=1S/C22H34N2O8/c1-14-10-23(20(28)24(17(14)25)12-30-18(26)21(2,3)4)16-9-8-15(32-16)11-29-13-31-19(27)22(5,6)7/h10,15-16H,8-9,11-13H2,1-7H3/t15-,16+/m0/s1
InChIKey MCTKJNDREMVFIE-JKSUJKDBSA-N
Mol Weight 454.5 g/mol
Molecular Formula C22H34N2O8
Exact Mass 454.231516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j7sL4HxgiL
Name [3-[(2R,5S)-5-(2,2-Dimethylpropanoyloxymethoxymethyl)oxolan-2-yl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl 2,2-dimethylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.231516055 u
Formula C22H34N2O8
InChI InChI=1S/C22H34N2O8/c1-14-10-23(20(28)24(17(14)25)12-30-18(26)21(2,3)4)16-9-8-15(32-16)11-29-13-31-19(27)22(5,6)7/h10,15-16H,8-9,11-13H2,1-7H3/t15-,16+/m0/s1
InChIKey MCTKJNDREMVFIE-JKSUJKDBSA-N
Molecular Weight 454.520 g/mol
SMILES C1(N(C=C(C(N1COC(C(C)(C)C)=O)=O)C)[C@@]1(O[C@](COCOC(C(C)(C)C)=O)(CC1)[H])[H])=O