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5-(TRIFLUOROMETHYL)-CYTOSINE

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5-(TRIFLUOROMETHYL)-CYTOSINE
SpectraBase Compound ID 4HoFHS6y06w
InChI InChI=1S/C10H12F3N3O5/c11-10(12,13)3-1-16(9(20)15-7(3)14)8-6(19)5(18)4(2-17)21-8/h1,4-6,8,17-19H,2H2,(H2,14,15,20)/t4-,5-,6+,8-/m0/s1
InChIKey GTPDEYWPIGFRQM-FEEAIGFJSA-N
Mol Weight 311.22 g/mol
Molecular Formula C10H12F3N3O5
Exact Mass 311.072905 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbFsZ9hIrGA
Name 5-(TRIFLUOROMETHYL)-CYTOSINE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12F3N3O5
InChI InChI=1S/C10H12F3N3O5/c11-10(12,13)3-1-16(9(20)15-7(3)14)8-6(19)5(18)4(2-17)21-8/h1,4-6,8,17-19H,2H2,(H2,14,15,20)/t4-,5-,6+,8-/m0/s1
InChIKey GTPDEYWPIGFRQM-FEEAIGFJSA-N
Literature Reference Author Y.KOBAYASHI,K.YAMAMOTO,T.ASAI,M.NAKANO,I.KUMADAKI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2755(1980)
Literature Reference DOI 10.1039/p19800002755
Solvent DMSO-D6
Source File Reference UWPS2054