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4-[1-(PHENYL)-ETHANAMINE]-6-(4-METHOXYPHENYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID GK7PNk836Si
InChI InChI=1S/C21H20N4O/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(25-21(18)23-13-22-20)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H2,22,23,24,25)/t14-/m1/s1
InChIKey DGXVGHDUNRFLDB-CQSZACIVSA-N
Mol Weight 344.42 g/mol
Molecular Formula C21H20N4O
Exact Mass 344.163711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANhxygSUGmx
Name 4-[1-(PHENYL)-ETHANAMINE]-6-(4-METHOXYPHENYL)-7H-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20N4O
InChI InChI=1S/C21H20N4O/c1-14(15-6-4-3-5-7-15)24-20-18-12-19(25-21(18)23-13-22-20)16-8-10-17(26-2)11-9-16/h3-14H,1-2H3,(H2,22,23,24,25)/t14-/m1/s1
InChIKey DGXVGHDUNRFLDB-CQSZACIVSA-N
Literature Reference Author C.SORUM,N.SIMIC,E.SUNDBY,B.H.HOFF
Literature Reference Citation MAGN.RES.CHEM.,48,244(2010)
Molecular Weight 344.416 g/mol
Solvent DMSO-D6
Source File Reference UWIR16219