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5-CYANO-6-HYDROXY-2-METHYLNICOTINIC ACID, METHYL ESTER
SpectraBase Compound ID 7hKPInGMcHR
InChI InChI=1S/C9H8N2O3/c1-5-7(9(13)14-2)3-6(4-10)8(12)11-5/h3H,1-2H3,(H,11,12)
InChIKey CONOYSKOLFZPBL-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zVex19PJiy
Name 5-CYANO-6-HYDROXY-2-METHYLNICOTINIC ACID, METHYL ESTER
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1984)
CAS Registry Number 71408-02-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c1-5-7(9(13)14-2)3-6(4-10)8(12)11-5/h3H,1-2H3,(H,11,12)
InChIKey CONOYSKOLFZPBL-UHFFFAOYSA-N
Molecular Weight 192.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms NICOTINIC ACID, 5-CYANO-6-HYDROXY- 2-METHYL-, METHYL ESTER