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Pyridinium, 2-[(carboxymethyl)thio]-3-hydroxy-1,6-dimethyl-, hydroxide, inner salt
SpectraBase Compound ID ArcuOtj0EPN
InChI InChI=1S/C9H11NO3S/c1-6-3-4-7(11)9(10(6)2)14-5-8(12)13/h3-4H,5H2,1-2H3,(H-,11,12,13)
InChIKey YVDGXZLRBZRXQH-UHFFFAOYSA-N
Mol Weight 213.25 g/mol
Molecular Formula C9H11NO3S
Exact Mass 213.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGq6wiPrWSF
Name Pyridinium, 2-[(carboxymethyl)thio]-3-hydroxy-1,6-dimethyl-, hydroxide, inner salt
Alternate Name(s) 2-Picolinium, 6-[(carboxymethyl)thio]-5-hydroxy-1-methyl-, hydroxide, inner salt 3-Hydroxy-1,6-dimethyl pyridinium-2-thiomethylcarboxylate [(3-hydroxy-1,6-dimethyl-2-pyridiniumyl)sulfanyl]acetate
CAS Registry Number 23003-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3S
InChI InChI=1S/C9H11NO3S/c1-6-3-4-7(11)9(10(6)2)14-5-8(12)13/h3-4H,5H2,1-2H3,(H-,11,12,13)
InChIKey YVDGXZLRBZRXQH-UHFFFAOYSA-N
Molecular Weight 213.251 g/mol
SMILES Oc1c([n+](c(cc1)C)C)SCC([O-])=O
SPLASH splash10-06r6-9700000000-fb1707e176668eee6522
Source of Spectrum S-26-2389-2
Wiley ID 1212361