Dataset

Nicotinic acid, 59-67-6.hmbc

Nicotinic acid, 59-67-6

Chemical Info

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.d425
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D425
Version
Author Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language english
MetadataCreated 2024-04-22T16:47:10.491844
MetadataModified 2024-09-23T09:35:44.516250
MetadataPublished 2022-11-09 09:57:24
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

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

Temperature : 297.9897 K

magnetic field strength : 16.444609318674203 Tesla

number of scans : 4 scans

nuclear magnetic resonance pulse sequence : hmbcgplpndqf

Spectral Width : [7.19866793898469, 135.222368997496]

number of data points : 3 points

relaxation time measurement : 1.5 seconds