| SpectraBase Compound ID | G9EGMFtNjhy |
|---|---|
| InChI | InChI=1S/C12H17Cl3N3O7P/c1-6-4-18(11(21)17-10(6)20)9-2-7(19)8(25-9)3-16-26(22,23)24-5-12(13,14)15/h4,7-9,19H,2-3,5H2,1H3,(H2,16,22,23)(H,17,20,21)/t7-,8+,9+/m0/s1 |
| InChIKey | PNCTZLSGPIJXDH-DJLDLDEBSA-N |
| Mol Weight | 452.61 g/mol |
| Molecular Formula | C12H17Cl3N3O7P |
| Exact Mass | 450.98697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kUrsBEPIfg |
|---|---|
| Name | 2,2,2-TRICHLORETHYL-5'-AMINO-5'-DEOXYTHYMIDIN-5'-PHOSPHAT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H16Cl3N3O7P |
| InChI | InChI=1S/C12H17Cl3N3O7P/c1-6-4-18(11(21)17-10(6)20)9-2-7(19)8(25-9)3-16-26(22,23)24-5-12(13,14)15/h4,7-9,19H,2-3,5H2,1H3,(H2,16,22,23)(H,17,20,21)/t7-,8+,9+/m0/s1 |
| InChIKey | PNCTZLSGPIJXDH-DJLDLDEBSA-N |
| Literature Reference Author | E.M.NOTTOLI,J.B.LAMBERT,R.L.LETSINGER |
| Literature Reference Citation | ORG.MAGN.RES.,9,499(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090902 |
| Molecular Weight | 451.608 g/mol |
| Solvent | D2O |
| Source File Reference | UNIW7700 |