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1-(2-HYDROXY-5-METHYLPHENYL)-3-(4-IODOPYRAZOL-1-YL)-PROPAN-1-ONE
SpectraBase Compound ID 3jWsDLouMtP
InChI InChI=1S/C13H13IN2O2/c1-9-2-3-12(17)11(6-9)13(18)4-5-16-8-10(14)7-15-16/h2-3,6-8,17H,4-5H2,1H3
InChIKey SGTXHPSEJKTKQP-UHFFFAOYSA-N
Mol Weight 356.16 g/mol
Molecular Formula C13H13IN2O2
Exact Mass 356.002173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZcWiY9n6IP
Name 1-(2-HYDROXY-5-METHYLPHENYL)-3-(4-IODOPYRAZOL-1-YL)-PROPAN-1-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13IN2O2
InChI InChI=1S/C13H13IN2O2/c1-9-2-3-12(17)11(6-9)13(18)4-5-16-8-10(14)7-15-16/h2-3,6-8,17H,4-5H2,1H3
InChIKey SGTXHPSEJKTKQP-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 356.163 g/mol
Solvent CDCl3
Source File Reference UWMZ10807