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(Z)-1-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-3-HYDROXYBUT-2-EN-1-ONE
SpectraBase Compound ID L9msSTaszM9
InChI InChI=1S/C9H12N2O2/c1-6-4-8(10-11(6)3)9(13)5-7(2)12/h4-5,12H,1-3H3/b7-5-
InChIKey JTWPVVZLSVFSCR-ALCCZGGFSA-N
Mol Weight 180.21 g/mol
Molecular Formula C9H12N2O2
Exact Mass 180.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID e8diDpOOCy
Name (Z)-1-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-3-HYDROXYBUT-2-EN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O2
InChI InChI=1S/C9H12N2O2/c1-6-4-8(10-11(6)3)9(13)5-7(2)12/h4-5,12H,1-3H3/b7-5-
InChIKey JTWPVVZLSVFSCR-ALCCZGGFSA-N
Literature Reference Author S.RADI,S.TIGHADOUINI,O.FERON,O.RIANT,M.BOUAKKA,R.BENABBES,Y. N.MABKHOT
Literature Reference Citation MOLECULES,20,20186(2015)
Literature Reference DOI 10.3390/molecules201119684
Molecular Weight 180.206 g/mol
Solvent CDCl3
Source File Reference UWPA6058