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4-(butylthio)-2,6-pyridinedicarboxylic acid, hydrate
SpectraBase Compound ID HRbHMWyejXA
InChI InChI=1S/C11H13NO4S.H2O/c1-2-3-4-17-7-5-8(10(13)14)12-9(6-7)11(15)16;/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16);1H2
InChIKey GTRNDKLYBHIHRS-UHFFFAOYSA-N
Mol Weight 273.303 g/mol
Molecular Formula C11H15NO5S
Exact Mass 273.067094 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID aBWstqoMLU
Name 4-(BUTYLTHIO)-2,6-PYRIDINEDICARBOXYLIC ACID, HYDRATE
Source of Sample D. G. Markees, Wells College, Aurora, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO5S
InChI InChI=1S/C11H13NO4S.H2O/c1-2-3-4-17-7-5-8(10(13)14)12-9(6-7)11(15)16;/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16);1H2
InChIKey GTRNDKLYBHIHRS-UHFFFAOYSA-N
Literature Reference JOCE 28, 2530(1963)
Melting Point 156-158C (dec.)
Molecular Weight 273.303009
Synonyms 2,6-PYRIDINEDICARBOXYLIC ACID, 4-/BUTYLTHIO/-, HYDRATE
Technique KBr WAFER