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4-Cyano-5-hydroxy-3-isopropyl-1-phenylpyrazole
SpectraBase Compound ID K130yh8lhaW
InChI InChI=1S/C13H13N3O/c1-9(2)12-11(8-14)13(17)16(15-12)10-6-4-3-5-7-10/h3-7,9,17H,1-2H3
InChIKey NEZOXLJILFSQKJ-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Vh6rOOg2eb
Name 4-CYANO-5-HYDROXY-3-ISOPROPYL-1-PHENYLPYRAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-9(2)12-11(8-14)13(17)16(15-12)10-6-4-3-5-7-10/h3-7,9,17H,1-2H3
InChIKey NEZOXLJILFSQKJ-UHFFFAOYSA-N
Literature Reference Author J.BECHER,P.L.JORGENSEN,K.PLUTA,N.J.KRAKE,B.FAELT-HANSEN
Literature Reference Citation J.ORG.CHEM.,57,2127(1992)
Literature Reference DOI 10.1021/jo00033a039
Molecular Weight 227.266 g/mol
Solvent DMSO-D6
Source File Reference UWCS1991