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4-[1-(ORTHO-FLUOROPHENYL)-ETHANAMINE]-6-(4-METHOXYPHENYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE

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4-[1-(ORTHO-FLUOROPHENYL)-ETHANAMINE]-6-(4-METHOXYPHENYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID 5dOyhHHigc8
InChI InChI=1S/C21H19FN4O/c1-13(16-5-3-4-6-18(16)22)25-20-17-11-19(26-21(17)24-12-23-20)14-7-9-15(27-2)10-8-14/h3-13H,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKey NKQUXYLGKITASB-CYBMUJFWSA-N
Mol Weight 362.41 g/mol
Molecular Formula C21H19FN4O
Exact Mass 362.154289 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31XQkHDBOyK
Name 4-[1-(ORTHO-FLUOROPHENYL)-ETHANAMINE]-6-(4-METHOXYPHENYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19FN4O
InChI InChI=1S/C21H19FN4O/c1-13(16-5-3-4-6-18(16)22)25-20-17-11-19(26-21(17)24-12-23-20)14-7-9-15(27-2)10-8-14/h3-13H,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKey NKQUXYLGKITASB-CYBMUJFWSA-N
Literature Reference Author C.SORUM,N.SIMIC,E.SUNDBY,B.H.HOFF
Literature Reference Citation MAGN.RES.CHEM.,48,244(2010)
Solvent DMSO-D6
Source File Reference UWIR16222