Ethyl 2-(tert-butyl)-3-chloro-5-cyano-6-hydroxyisonicotinate

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Systematic / IUPAC Name: Ethyl 5-chloro-3-cyano-6-(2-methyl-2-propanyl)-2-oxo-1,2-dihydro-4-pyridinecarboxylate

ID: Reference6451

Other Names: 4-Pyridinecarboxylic acid, 5-chloro-3-cyano-6-(1,1-dimethylethyl)-1,2-dihydro-2-oxo-, ethyl ester

Formula: C13H15ClN2O3

Spectral Data

Ethyl 2-(tert-butyl)-3-chloro-5-cyano-6-hydroxyisonicotinate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/9/2017 11:20:37 AM
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Identificators

InChI InChI=1S/C13H15ClN2O3/c1-5-19-12(18)8-7(6-15)11(17)16-10(9(8)14)13(2,3)4/h5H2,1-4H3,(H,16,17)
InChI Key CNZSMDRNGJLHFY-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(C(=O)NC(=C1Cl)C(C)(C)C)C#N
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Other Names 4-Pyridinecarboxylic acid, 5-chloro-3-cyano-6-(1,1-dimethylethyl)-1,2-dihydro-2-oxo-, ethyl ester

In Other Databases

ChemSpider 2008362
PubChem 2726298