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3-chloropyrazinic acid methyl ester

View entire compound with spectra: 4 NMR, and 1 MS (GC)

3-chloropyrazinic acid methyl ester
SpectraBase Compound ID 1j6FZPujO2K
InChI InChI=1S/C6H5ClN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
InChIKey SSXOFWYPCZOGBM-UHFFFAOYSA-N
Mol Weight 172.57 g/mol
Molecular Formula C6H5ClN2O2
Exact Mass 172.003955 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mcRITDHvAW
Name 3-chloropyrazinic acid methyl ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5ClN2O2
InChI InChI=1S/C6H5ClN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
InChIKey SSXOFWYPCZOGBM-UHFFFAOYSA-N
Literature Reference Author W.HOLZER,G.A.ELLER,B.DATTERL,D.HABICHT
Literature Reference Citation MAGN.RES.CHEM.,47,617(2009)
Literature Reference DOI 10.1002/mrc.2437
Solvent CDCl3
Source File Reference UWLU79811