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2-(Ethylthio)nicotinic acid
SpectraBase Compound ID EgvpLII94f4
InChI InChI=1S/C8H9NO2S/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey LYHPPDODTUEXAN-UHFFFAOYSA-N
Mol Weight 183.22 g/mol
Molecular Formula C8H9NO2S
Exact Mass 183.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jr1d3ShURZV
Name 2-(Ethylsulfanyl)nicotinic acid
Alternate Name(s) 2-(ethylthio)-3-pyridinecarboxylic acid 2-(Ethylthio)nicotinic acid 2-(Ethylthio)pyridine-3-carboxylic acid 2-Ethylsulfanylpyridine-3-carboxylic acid
CAS Registry Number 27868-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO2S
InChI InChI=1S/C8H9NO2S/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey LYHPPDODTUEXAN-UHFFFAOYSA-N
Molecular Weight 183.225 g/mol
SMILES OC(c1c(nccc1)SCC)=O
SPLASH splash10-0ugr-7900000000-f8a44c642ec96118c508
Source of Spectrum AD-0-2532-0
Wiley ID 1427288