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PQMRAAAWHDMSHB-UHFFFAOYSA-N

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PQMRAAAWHDMSHB-UHFFFAOYSA-N
SpectraBase Compound ID LklJiBBZaSK
InChI InChI=1S/C22H18ClN3/c1-16-7-9-17(10-8-16)21-15-22(24-19-13-11-18(23)12-14-19)25-26(21)20-5-3-2-4-6-20/h2-15H,1H3,(H,24,25)
InChIKey PQMRAAAWHDMSHB-UHFFFAOYSA-N
Mol Weight 359.86 g/mol
Molecular Formula C22H18ClN3
Exact Mass 359.118925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oDTfwK6MOl
Name PQMRAAAWHDMSHB-UHFFFAOYSA-N
Compound Number 629
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3
InChI InChI=1S/C22H18ClN3/c1-16-7-9-17(10-8-16)21-15-22(24-19-13-11-18(23)12-14-19)25-26(21)20-5-3-2-4-6-20/h2-15H,1H3,(H,24,25)
InChIKey PQMRAAAWHDMSHB-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 359.858 g/mol
Solvent CDCl3
Source File Reference UWVP2018