Dataset

Nicotinic acid, 59-67-6[2]

Nicotinic acid, 59-67-6

Chemical Information

molecular Image
InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
SMILES O=C(O)C1=CN=CC=C1
InChI Key PVNIIMVLHYAWGP-UHFFFAOYSA-N
Molecular Formula C6H5NO2
Exact Mass 123.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p12.s73.d427
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D427
Version
Author Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language english
MetadataPublished 2022-11-09T09:57:24.000000Z
Related Molecule
  • pyridine-3-carboxylic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm PABBO BB-1H/19F/D Z-GRD Z129133/0001

    Temperature : 297.9983 K

    magnetic field strength : 16.441106362506158 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 304.239683000041

    number of data points : 7 points

    relaxation time measurement : 2.2 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.