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2,4-BIS-(BENZOTRIAZOL-1-YL-METHYL)-PENTANONE;ISOMER-#1
SpectraBase Compound ID ADPuctO9dNM
InChI InChI=1S/C19H20N6O/c1-13(11-24-17-9-5-3-7-15(17)20-22-24)19(26)14(2)12-25-18-10-6-4-8-16(18)21-23-25/h3-10,13-14H,11-12H2,1-2H3
InChIKey LJGIAHHKJLOVJR-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C19H20N6O
Exact Mass 348.169859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7yOYToRYXv
Name 2,4-BIS-(BENZOTRIAZOL-1-YL-METHYL)-PENTANONE;ISOMER-#2
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N6O
InChI InChI=1S/C19H20N6O/c1-13(11-24-17-9-5-3-7-15(17)20-22-24)19(26)14(2)12-25-18-10-6-4-8-16(18)21-23-25/h3-10,13-14H,11-12H2,1-2H3
InChIKey LJGIAHHKJLOVJR-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,B.GALUSZKA,S.RACHWAL,M.BLACK
Literature Reference Citation J.HETCYCL.CHEM.,31,917(1994)
Literature Reference DOI 10.1002/jhet.5570310438
Molecular Weight 348.407 g/mol
Solvent CDCl3
Source File Reference UWCS18799