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3-((2-TERT.-BUTYLPHENYL)-IMINO)-1-METHYLPYRAZOLIN-5-ONE
SpectraBase Compound ID Kmwo0lhc92G
InChI InChI=1S/C14H19N3O/c1-14(2,3)10-7-5-6-8-11(10)15-12-9-13(18)17(4)16-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKey HIWIZNWCTAGHDQ-UHFFFAOYSA-N
Mol Weight 245.33 g/mol
Molecular Formula C14H19N3O
Exact Mass 245.152812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaQ3Dnjxgex
Name 3-((2-TERT.-BUTYLPHENYL)-IMINO)-1-METHYLPYRAZOLIN-5-ONE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N3O
InChI InChI=1S/C14H19N3O/c1-14(2,3)10-7-5-6-8-11(10)15-12-9-13(18)17(4)16-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKey HIWIZNWCTAGHDQ-UHFFFAOYSA-N
Literature Reference Author H.BIBAS,D.W.MOLONEY,R.NEUMANN,M.SHTAIWI,P.V.BERNHARDT,C.WENT RUP
Literature Reference Citation J.ORG.CHEM.,67,2619(2002)
Literature Reference DOI 10.1021/jo0110552
Molecular Weight 245.324 g/mol
Solvent CDCl3
Source File Reference UWSI21513