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1-(5'-IODOPENTYL)-3-HYDROXY-5-NITROINDAZOLE
SpectraBase Compound ID KfuCLujCZLP
InChI InChI=1S/C12H14IN3O3/c13-6-2-1-3-7-15-11-5-4-9(16(18)19)8-10(11)12(17)14-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKey OGRQBWRBVXIXID-UHFFFAOYSA-N
Mol Weight 375.17 g/mol
Molecular Formula C12H14IN3O3
Exact Mass 375.007986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQ3GTUzEBtJ
Name 1-(5'-IODOPENTYL)-3-HYDROXY-5-NITROINDAZOLE
Compound Number 100
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14IN3O3
InChI InChI=1S/C12H14IN3O3/c13-6-2-1-3-7-15-11-5-4-9(16(18)19)8-10(11)12(17)14-15/h4-5,8H,1-3,6-7H2,(H,14,17)
InChIKey OGRQBWRBVXIXID-UHFFFAOYSA-N
Literature Reference Author J.ELGUERO,A.FRUCHIER,E.M.TJIOU,S.TROFIMENKO
Literature Reference Citation CHEM.HET.COMP.,31,1006(1995)
Literature Reference DOI 10.1007/bf01165048
Molecular Weight 375.166 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14078