Dataset

Nicotinic acid, 59-67-6.dept

Chemical Info

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

• Nicotinic acid, 59-67-6.deptHTML
  Explore

  • More information
  • Go to resource

• distortionless-enha...

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.57992/nmrxiv.p12.s73.d422
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D422
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:27:26.890737
MetadataModified	2024-05-15T07:57:36.223707
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
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 : 298.0234 K magnetic field strength : 16.441106362506158 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : deptsp Spectral Width : 253.539406748764 number of data points : 7 points relaxation time measurement : 2.2 seconds