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HGLARLXREMGSJY-UHFFFAOYSA-N
SpectraBase Compound ID HJXN6oDT2Zm
InChI InChI=1S/C23H18ClN5OS/c1-14-12-20(21-15(2)27-28(22(21)30)18-10-8-17(24)9-11-18)29(26-14)23-25-19(13-31-23)16-6-4-3-5-7-16/h3-13,30H,1-2H3
InChIKey HGLARLXREMGSJY-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C23H18ClN5OS
Exact Mass 447.092059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPI86Gny725
Name HGLARLXREMGSJY-UHFFFAOYSA-N
Compound Number 1040
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18ClN5OS
InChI InChI=1S/C23H18ClN5OS/c1-14-12-20(21-15(2)27-28(22(21)30)18-10-8-17(24)9-11-18)29(26-14)23-25-19(13-31-23)16-6-4-3-5-7-16/h3-13,30H,1-2H3
InChIKey HGLARLXREMGSJY-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 447.942 g/mol
Solvent DMSO-D6
Source File Reference UWVP1141