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Sodium salt 2-aminothionicotinic acid

View entire compound with spectra: 1 MS (GC)

Sodium salt 2-aminothionicotinic acid
SpectraBase Compound ID 7aQ8rJfYYKr
InChI InChI=1S/C6H6N2O2S.Na/c7-11-5-4(6(9)10)2-1-3-8-5;/h1-3H,7H2,(H,9,10);/q;+1/p-1
InChIKey MIUUHTCXUGJXSM-UHFFFAOYSA-M
Mol Weight 192.16776928 g/mol
Molecular Formula C6H5N2NaO2S
Exact Mass 191.996943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQjzZuBTvjq
Name Sodium salt 2-aminothionicotinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N2NaO2S
InChI InChI=1S/C6H6N2O2S.Na/c7-11-5-4(6(9)10)2-1-3-8-5;/h1-3H,7H2,(H,9,10);/q;+1/p-1
InChIKey MIUUHTCXUGJXSM-UHFFFAOYSA-M
Literature Reference DOI 10.1002/prac.19973390129
Molecular Weight 192.168 g/mol
SMILES NSc1ncccc1C([O-])=O.[Na+]
SPLASH splash10-0f6t-9200000000-2bd2fd80724d5e5f87c2
Source of Spectrum JF-399-157-15
Synonyms Sodium 2-(aminothio)nicotinate
Wiley ID 1768328