Nicotinic acid 1-oxide

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Systematic / IUPAC Name: Nicotinic acid 1-oxide

ID: Reference911

Other Names: 3-Pyridinecarboxylic acid, 1-oxide;
3-Carboxypyridine N-oxide;
3-Pyridinecarboxylic acid oxide;
Pyridine-3-carboxylic acid N-oxide;
3-Carboxypyridine 1-oxide ; more

Formula: C6H5NO3

Spectral Data

Nicotinic acid 1-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2015 12:29:49 PM
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Identificators

InChI InChI=1S/C6H5NO3/c8-6(9)5-2-1-3-7(10)4-5/h1-4H,(H,8,9)
InChI Key FJCFFCXMEXZEIM-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C[N+](=C1)[O-])C(=O)O
CAS 2398814
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Other Names 3-Pyridinecarboxylic acid, 1-oxide;
3-Carboxypyridine N-oxide;
3-Pyridinecarboxylic acid oxide;
Pyridine-3-carboxylic acid N-oxide;
3-Carboxypyridine 1-oxide;
Nicotinic acid N-oxide;
Oxiniacic acid;
Nicotinic acid, 1-oxide

In Other Databases

ChemIDPlus 002398814; 040950898
PubChem 16976
ChEMBL CHEMBL1591725
ChemSpider 16082