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2-(4-NITROIMIDAZOL-1-YL)-PROPANE-1,3-DIOL
SpectraBase Compound ID 1LqgdHU2z8L
InChI InChI=1S/C6H9N3O4/c10-2-5(3-11)8-1-6(7-4-8)9(12)13/h1,4-5,10-11H,2-3H2
InChIKey VLTIQEUCWFMUOC-UHFFFAOYSA-N
Mol Weight 187.15 g/mol
Molecular Formula C6H9N3O4
Exact Mass 187.059306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOekcwOIm3C
Name 2-(4-NITROIMIDAZOL-1-YL)-PROPANE-1,3-DIOL
Compound Number 1 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H9N3O4
InChI InChI=1S/C6H9N3O4/c10-2-5(3-11)8-1-6(7-4-8)9(12)13/h1,4-5,10-11H,2-3H2
InChIKey VLTIQEUCWFMUOC-UHFFFAOYSA-N
Literature Reference Author R.BENHIDA,T.GHARBAOUI,A.LECHEVALLIER,R.BEUGELMANS
Literature Reference Citation BULL.SOC.CHIM.FR.,131,200(1994)
Molecular Weight 187.155 g/mol
Solvent DMSO-D6
Source File Reference UWPR2071