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3,4-DIIODO-1-(1-OXO-3-PHENYLPROPYL)-1H-PYRAZOLE

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3,4-DIIODO-1-(1-OXO-3-PHENYLPROPYL)-1H-PYRAZOLE
SpectraBase Compound ID DG1SjzI7Uy7
InChI InChI=1S/C12H10I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey MRWAPGGPIYHSCQ-UHFFFAOYSA-N
Mol Weight 452.03 g/mol
Molecular Formula C12H10I2N2O
Exact Mass 451.888253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkxNZKrGJQ3
Name 3,4-DIIODO-1-(1-OXO-3-PHENYLPROPYL)-1H-PYRAZOLE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10I2N2O
InChI InChI=1S/C12H10I2N2O/c13-10-8-16(15-12(10)14)11(17)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey MRWAPGGPIYHSCQ-UHFFFAOYSA-N
Literature Reference Author W.HOLZER,I.POECHER
Literature Reference Citation J.HETCYCL.CHEM.,32,189(1995)
Literature Reference DOI 10.1002/jhet.5570320131
Molecular Weight 452.033 g/mol
Solvent CDCl3
Source File Reference UWCS20647