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1-(BENZOTRIAZOL-1-YL)-3-(BENZOTRIAZOL-2-YL)-PROPAN-2-OL
SpectraBase Compound ID HXNYKaljHLM
InChI InChI=1S/C15H14N6O/c22-11(9-20-15-8-4-3-7-14(15)16-19-20)10-21-17-12-5-1-2-6-13(12)18-21/h1-8,11,22H,9-10H2
InChIKey JGDZDEALNLPQIG-UHFFFAOYSA-N
Mol Weight 294.32 g/mol
Molecular Formula C15H14N6O
Exact Mass 294.122909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa2qmCWG0zI
Name 1-(BENZOTRIAZOL-1-YL)-3-(BENZOTRIAZOL-2-YL)-PROPAN-2-OL
Comments The shift-values of compound-#9 (SBIO-6993) have been exchanged with those ofcompound-#10 (SBIO-6994) in order to correlate symmetric shift-valueswith a symmetric structure
Compound Number 9
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H14N6O/c22-11(9-20-15-8-4-3-7-14(15)16-19-20)10-21-17-12-5-1-2-6-13(12)18-21/h1-8,11,22H,9-10H2
InChIKey JGDZDEALNLPQIG-UHFFFAOYSA-N
Literature Reference A.R.KATRITZKY,R.P.MUSGRAVE,J.C.BREYTENBACH J.HETCYCL.CHEM.,33,1637(1996)
Solvent Dimethyl sulfoxide-d6
Technique SELECTIVE DECOUPLING