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3-(BENZOTRIAZOL-1-YL-METHYL)-PENTANEDIONE
SpectraBase Compound ID uRrIo88LgW
InChI InChI=1S/C12H13N3O2/c1-8(16)10(9(2)17)7-15-12-6-4-3-5-11(12)13-14-15/h3-6,10H,7H2,1-2H3
InChIKey VTOXSTDWWWAIIM-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VEfLpo1saZ
Name 3-(BENZOTRIAZOL-1-YL-METHYL)-PENTANEDIONE
Compound Number 1 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-8(16)10(9(2)17)7-15-12-6-4-3-5-11(12)13-14-15/h3-6,10H,7H2,1-2H3
InChIKey VTOXSTDWWWAIIM-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 231.254 g/mol
Solvent CDCl3
Source File Reference UWCS18808