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5-Methyl-2'-deoxy cytidine, N,o,o'-tri(acetyl)-
SpectraBase Compound ID H6TgdQRUdda
InChI InChI=1S/C16H21N3O7/c1-8-6-19(16(23)18-15(8)17-9(2)20)14-5-12(25-11(4)22)13(26-14)7-24-10(3)21/h6,12-14H,5,7H2,1-4H3,(H,17,18,20,23)/t12-,13+,14+/m0/s1
InChIKey JHLBBRIYSXGSIW-BFHYXJOUSA-N
Mol Weight 367.36 g/mol
Molecular Formula C16H21N3O7
Exact Mass 367.13795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID slty56bAXk
Name 5-Methyl-2'-deoxy cytidine, N,o,o'-tri(acetyl)-
Comments Computed using HOSE algorithm
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Exact Mass 367.137950021 u
Formula C16H21N3O7
InChI InChI=1S/C16H21N3O7/c1-8-6-19(16(23)18-15(8)17-9(2)20)14-5-12(25-11(4)22)13(26-14)7-24-10(3)21/h6,12-14H,5,7H2,1-4H3,(H,17,18,20,23)/t12-,13+,14+/m0/s1
InChIKey JHLBBRIYSXGSIW-BFHYXJOUSA-N
Molecular Weight 367.358 g/mol
SMILES [C@]1(C[C@](N2C(N=C(C(=C2)C)NC(C)=O)=O)(O[C@@]1(COC(C)=O)[H])[H])(OC(C)=O)[H]