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isonicotinic acid, 1-oxide
SpectraBase Compound ID 3QRPmzcJzER
InChI InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
InChIKey QCWTWMJMLSKQCJ-UHFFFAOYSA-N
Mol Weight 139.11 g/mol
Molecular Formula C6H5NO3
Exact Mass 139.026943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DU7wuuPsQ
Name Isonicotinic Acid N-oxide
Alternate Name(s) 1-Oxidanidylpyridin-1-ium-4-carboxylic acid 1-Oxido-4-pyridin-1-iumcarboxylic acid 1-Oxidopyridin-1-ium-4-carboxylic acid 4-Pyridinecarboxylic acid, 1-oxide Isonicotinic acid 1-oxide
CAS Registry Number 13602-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5NO3
InChI InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
InChIKey QCWTWMJMLSKQCJ-UHFFFAOYSA-N
Molecular Weight 139.110 g/mol
SMILES OC(c1cc[n+]([O-])cc1)=O
SPLASH splash10-0f7c-2900000000-d0212a4140960a5bda16
Source of Spectrum O-26-855-0
Wiley ID 1138570