John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JoNzWYAr6uo SpectraBase Spectrum ID=2BEsITrGAHY

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1-METHYL-3-CARBOXY-4-NITRO-PYRAZOLE
SpectraBase Compound ID JoNzWYAr6uo
InChI InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(6-7)5(9)10/h2H,1H3,(H,9,10)
InChIKey OMMBYRSUPXNTEK-UHFFFAOYSA-N
Mol Weight 171.11 g/mol
Molecular Formula C5H5N3O4
Exact Mass 171.028006 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BEsITrGAHY
Name 1-METHYL-3-CARBOXY-4-NITRO-PYRAZOLE
Compound Number 126
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H5N3O4
InChI InChI=1S/C5H5N3O4/c1-7-2-3(8(11)12)4(6-7)5(9)10/h2H,1H3,(H,9,10)
InChIKey OMMBYRSUPXNTEK-UHFFFAOYSA-N
Literature Reference Author R.M.CLARAMUNT,D.SANZ,C.LOPEZ,J.A.JIMENEZ,M.L.JIMENO,J.ELGUER O,A.FRUCHIER
Literature Reference Citation MAGN.RES.CHEM.,35,35(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199701)35:1<35::aid-omr25>3.0.co;2-k
Solvent DMSO
Source File Reference UWKP1235
SpectraBase Batch ID 4Isi5HR0bsI