John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AxDsios7mkv SpectraBase Spectrum ID=1iYEjDi0qbs

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4-(TRIFLUOROMETHYL)-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID AxDsios7mkv
InChI InChI=1S/C7H4F3N3/c8-7(9,10)5-4-1-2-11-6(4)13-3-12-5/h1-3H,(H,11,12,13)
InChIKey AHKYTXIKHZFERS-UHFFFAOYSA-N
Mol Weight 187.13 g/mol
Molecular Formula C7H4F3N3
Exact Mass 187.035732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iYEjDi0qbs
Name 4-(TRIFLUOROMETHYL)-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 12A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H4F3N3
InChI InChI=1S/C7H4F3N3/c8-7(9,10)5-4-1-2-11-6(4)13-3-12-5/h1-3H,(H,11,12,13)
InChIKey AHKYTXIKHZFERS-UHFFFAOYSA-N
Literature Reference Author J.DREXLER,U.GROTH
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6314(2014)
Literature Reference DOI 10.1002/ejoc.201402755
Molecular Weight 187.124 g/mol
Solvent DMSO-D6
Source File Reference UWIR19237
SpectraBase Batch ID HDmWm1ctQyI