John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CGZjqkwZIxM SpectraBase Spectrum ID=2VRYIvWAoot

(accessed ).
WBWZXTILYSOMEB-UHFFFAOYSA-N
SpectraBase Compound ID CGZjqkwZIxM
InChI InChI=1S/C9H5N5O6/c15-12(16)6-4-7(13(17)18)9(8(5-6)14(19)20)11-3-1-2-10-11/h1-5H
InChIKey WBWZXTILYSOMEB-UHFFFAOYSA-N
Mol Weight 279.17 g/mol
Molecular Formula C9H5N5O6
Exact Mass 279.023983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VRYIvWAoot
Name 1-(2',4',6'-TRINITROPHENYL)-PYRAZOLE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H5N5O6
InChI InChI=1S/C9H5N5O6/c15-12(16)6-4-7(13(17)18)9(8(5-6)14(19)20)11-3-1-2-10-11/h1-5H
InChIKey WBWZXTILYSOMEB-UHFFFAOYSA-N
Literature Reference Author M.A.GARCIA,R.M.CLARAMUNT,J.ELGUERO
Literature Reference Citation MAGN.RES.CHEM.,46,697(2008)
Literature Reference DOI 10.1002/mrc.2219
Molecular Weight 279.169 g/mol
Solvent DMSO-D6
Source File Reference UWLU82539
SpectraBase Batch ID 2daBc5jGqXC