Dataset

Nalidixic acid, 389-08-2.dept

Chemical Info

InChI	InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
SMILES	CCN1C=C(C(=O)O)C(=O)C2=C1N=C(C)C=C2
InChI Key	MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O3
Exact Mass	232.230 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p12.s74.d428
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D428
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:50:08.642617
MetadataModified	2024-05-15T08:14:00.053268
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB-1H/19F/D Z-GRD Z129133/0001 Temperature : 298.0886 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