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2-Deoxythymidine-3',5'-N,N-dimethylamidocyclophosphite (isomer mixture)
SpectraBase Compound ID LyYtEiL7Qoi
InChI InChI=1S/C12H18N3O5P/c1-7-5-15(12(17)13-11(7)16)10-4-8-9(19-10)6-18-21(20-8)14(2)3/h5,8-10H,4,6H2,1-3H3,(H,13,16,17)/t8-,9+,10+,21?/m0/s1
InChIKey GYFQVSMWLJVJBQ-NZGHWVOESA-N
Mol Weight 315.27 g/mol
Molecular Formula C12H18N3O5P
Exact Mass 315.098408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 163DYz05osc
Name 2-Deoxythymidine-3',5'-N,N-dimethylamidocyclophosphite (isomer mixture)
Comments Computed using HOSE algorithm
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Exact Mass 315.098407685 u
Formula C12H18N3O5P
InChI InChI=1S/C12H18N3O5P/c1-7-5-15(12(17)13-11(7)16)10-4-8-9(19-10)6-18-21(20-8)14(2)3/h5,8-10H,4,6H2,1-3H3,(H,13,16,17)/t8-,9+,10+,21?/m0/s1
InChIKey GYFQVSMWLJVJBQ-NZGHWVOESA-N
Molecular Weight 315.266 g/mol
SMILES N1C(C(=CN(C1=O)[C@]1(C[C@]2([C@](O1)(COP(O2)N(C)C)[H])[H])[H])C)=O