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1-(2-HYDROXY-5-METHYLPHENYL)-3-(3,5-DIMETHYL-5-NITROPYRAZOL-1-YL)-PROPAN-1-ONE
SpectraBase Compound ID Jzf6lDp86ad
InChI InChI=1S/C15H17N3O4/c1-9-4-5-13(19)12(8-9)14(20)6-7-17-11(3)15(18(21)22)10(2)16-17/h4-5,8,19H,6-7H2,1-3H3
InChIKey XINYOTBAQCKYHF-UHFFFAOYSA-N
Mol Weight 303.32 g/mol
Molecular Formula C15H17N3O4
Exact Mass 303.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xk05gXd0Eo
Name 1-(2-HYDROXY-5-METHYLPHENYL)-3-(3,5-DIMETHYL-5-NITROPYRAZOL-1-YL)-PROPAN-1-ONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17N3O4
InChI InChI=1S/C15H17N3O4/c1-9-4-5-13(19)12(8-9)14(20)6-7-17-11(3)15(18(21)22)10(2)16-17/h4-5,8,19H,6-7H2,1-3H3
InChIKey XINYOTBAQCKYHF-UHFFFAOYSA-N
Literature Reference Author G.ROMAN,E.COMANITA,B.COMANITA
Literature Reference Citation CHEM.HET.COMP.,38,1072(2002)
Literature Reference DOI 10.1023/a:1021201214319
Molecular Weight 303.318 g/mol
Solvent CDCl3
Source File Reference UWMZ10810