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Pyridinium, 1-(carboxyphenylmethyl)-, hydroxide, inner salt
SpectraBase Compound ID 8byNlu00gQD
InChI InChI=1S/C13H11NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1-10,12H
InChIKey FGBZQMSWIRGKHN-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lkt2NFkVyUe
Name Pyridinium, 1-(carboxyphenylmethyl)-, hydroxide, inner salt
Alternate Name(s) N-(1-carboxybenzyl)pyridinium betaine phenyl(1-pyridiniumyl)acetate
CAS Registry Number 36880-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c15-13(16)12(11-7-3-1-4-8-11)14-9-5-2-6-10-14/h1-10,12H
InChIKey FGBZQMSWIRGKHN-UHFFFAOYSA-N
Molecular Weight 213.236 g/mol
SMILES C([n+]1ccccc1)(C([O-])=O)c1ccccc1
SPLASH splash10-0006-9100000000-23d1e0abd4a246783dd2
Source of Spectrum N-2-19-3
Wiley ID 1212652