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2,2,2-TRICHLORETHYL-THYMIDIN-5'-PHOSPHATE

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2,2,2-TRICHLORETHYL-THYMIDIN-5'-PHOSPHATE
SpectraBase Compound ID 5qX8h1guN8D
InChI InChI=1S/C12H16Cl3N2O8P/c1-6-3-17(11(20)16-10(6)19)9-2-7(18)8(25-9)4-23-26(21,22)24-5-12(13,14)15/h3,7-9,18H,2,4-5H2,1H3,(H,21,22)(H,16,19,20)/t7-,8+,9+/m0/s1
InChIKey GITUVHRWACBENW-DJLDLDEBSA-N
Mol Weight 453.6 g/mol
Molecular Formula C12H16Cl3N2O8P
Exact Mass 451.970986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9qdNn0Ewjq
Name 2,2,2-TRICHLORETHYL-THYMIDIN-5'-PHOSPHATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15Cl3N2O8P
InChI InChI=1S/C12H16Cl3N2O8P/c1-6-3-17(11(20)16-10(6)19)9-2-7(18)8(25-9)4-23-26(21,22)24-5-12(13,14)15/h3,7-9,18H,2,4-5H2,1H3,(H,21,22)(H,16,19,20)/t7-,8+,9+/m0/s1
InChIKey GITUVHRWACBENW-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 452.592 g/mol
Solvent D2O
Source File Reference UNIW7701