3-Ethyl 5-methyl 2-[(2-methoxy-2-oxoethyl)thio]-6-methylpyridine-3,5-dicarboxylate

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Systematic / IUPAC Name: 3-Ethyl 5-methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-6-methyl-3,5-pyridinedicarboxylate

ID: Reference4803

Other Names: 3,5-Pyridinedicarboxylic acid, 2-[(2-methoxy-2-oxoethyl)thio]-6-methyl-, 3-ethyl 5-methyl ester;
3-Ethyl 5-methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-6-methylpyridine-3,5-dicarboxylate

Formula: C14H17NO6S

Spectral Data

3-Ethyl 5-methyl 2-[(2-methoxy-2-oxoethyl)thio]-6-methylpyridine-3,5-dicarboxylate 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 5/12/2016 7:07:38 AM
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Identificators

InChI InChI=1S/C14H17NO6S/c1-5-21-14(18)10-6-9(13(17)20-4)8(2)15-12(10)22-7-11(16)19-3/h6H,5,7H2,1-4H3
InChI Key MMZFTZKKTMXQND-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=C(N=C(C(=C1)C(=O)OC)C)SCC(=O)OC
CAS
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Other Names 3,5-Pyridinedicarboxylic acid, 2-[(2-methoxy-2-oxoethyl)thio]-6-methyl-, 3-ethyl 5-methyl ester;
3-Ethyl 5-methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-6-methylpyridine-3,5-dicarboxylate

In Other Databases

ChemSpider 2074782
PubChem 2795906