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5'-Thymidylic acid, 3-methyl-3'-o-methyl-, dimethyl ester
SpectraBase Compound ID BIqIL4YPred
InChI InChI=1S/C14H23N2O8P/c1-9-7-16(14(18)15(2)13(9)17)12-6-10(20-3)11(24-12)8-23-25(19,21-4)22-5/h7,10-12H,6,8H2,1-5H3/t10-,11+,12+/m0/s1
InChIKey WWRQCGVFTVVWTI-QJPTWQEYSA-N
Mol Weight 378.32 g/mol
Molecular Formula C14H23N2O8P
Exact Mass 378.119203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63hRu0fsfYj
Name 5'-Thymidylic acid, 3-methyl-3'-o-methyl-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.119202699 u
Formula C14H23N2O8P
InChI InChI=1S/C14H23N2O8P/c1-9-7-16(14(18)15(2)13(9)17)12-6-10(20-3)11(24-12)8-23-25(19,21-4)22-5/h7,10-12H,6,8H2,1-5H3/t10-,11+,12+/m0/s1
InChIKey WWRQCGVFTVVWTI-QJPTWQEYSA-N
Molecular Weight 378.318 g/mol
SMILES C1(N(C=C(C(N1C)=O)C)[C@@]1(O[C@](COP(=O)(OC)OC)([C@](C1)(OC)[H])[H])[H])=O