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1-(BENZOTRIAZOL-1-YL)-5-METHYLHEXAN-3-ONE
SpectraBase Compound ID Lx5CfL08VmP
InChI InChI=1S/C13H17N3O/c1-10(2)9-11(17)7-8-16-13-6-4-3-5-12(13)14-15-16/h3-6,10H,7-9H2,1-2H3
InChIKey ZCXUAPPCFQIVJU-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cOiThMiGzo
Name 1-(BENZOTRIAZOL-1-YL)-5-METHYLHEXAN-3-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-10(2)9-11(17)7-8-16-13-6-4-3-5-12(13)14-15-16/h3-6,10H,7-9H2,1-2H3
InChIKey ZCXUAPPCFQIVJU-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 231.297 g/mol
Solvent CDCl3
Source File Reference UWCS18800