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OHKVYUYKGAGHLE-UHFFFAOYSA-N

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OHKVYUYKGAGHLE-UHFFFAOYSA-N
SpectraBase Compound ID GU9FjA0kREd
InChI InChI=1S/C28H27ClF3N5O2/c1-19-36(17-20-6-2-3-10-24(20)29)27(39)23-9-5-11-33-26(23)37(19)25(38)18-34-12-14-35(15-13-34)22-8-4-7-21(16-22)28(30,31)32/h2-11,16,19H,12-15,17-18H2,1H3
InChIKey OHKVYUYKGAGHLE-UHFFFAOYSA-N
Mol Weight 558.01 g/mol
Molecular Formula C28H27ClF3N5O2
Exact Mass 557.180537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9CMXMCpWow
Name OHKVYUYKGAGHLE-UHFFFAOYSA-N
Compound Number VIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27ClF3N5O2
InChI InChI=1S/C28H27ClF3N5O2/c1-19-36(17-20-6-2-3-10-24(20)29)27(39)23-9-5-11-33-26(23)37(19)25(38)18-34-12-14-35(15-13-34)22-8-4-7-21(16-22)28(30,31)32/h2-11,16,19H,12-15,17-18H2,1H3
InChIKey OHKVYUYKGAGHLE-UHFFFAOYSA-N
Literature Reference Author F.HEROLD,J.KLEPS,A.CHODKOWSKI,B.GUTKOWSKA
Literature Reference Citation ACTA.POL.PH.DRUG.R.,56,385(1999)
Molecular Weight 558.003 g/mol
Source File Reference UWLU76179