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4-IODO-3,5-DIMETHYL-1-(3-METHYL-4-NITROBUTANOYL)-PYRAZOLE

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4-IODO-3,5-DIMETHYL-1-(3-METHYL-4-NITROBUTANOYL)-PYRAZOLE
SpectraBase Compound ID 4nDhWcbM6Fg
InChI InChI=1S/C10H14IN3O3/c1-6(5-13(16)17)4-9(15)14-8(3)10(11)7(2)12-14/h6H,4-5H2,1-3H3
InChIKey TVMPHZRIDPGKJF-UHFFFAOYSA-N
Mol Weight 351.14 g/mol
Molecular Formula C10H14IN3O3
Exact Mass 351.007986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSk0JrSJcuE
Name 4-IODO-3,5-DIMETHYL-1-(3-METHYL-4-NITROBUTANOYL)-PYRAZOLE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14IN3O3
InChI InChI=1S/C10H14IN3O3/c1-6(5-13(16)17)4-9(15)14-8(3)10(11)7(2)12-14/h6H,4-5H2,1-3H3
InChIKey TVMPHZRIDPGKJF-UHFFFAOYSA-N
Literature Reference Author K.ITOH,S.KANEMASA
Literature Reference Citation J.AM.CHEM.SOC.,124,13394(2002)
Literature Reference DOI 10.1021/ja027313+
Molecular Weight 351.144 g/mol
Sample ID 48352
Solvent CDCl3