Dataset

2-Hydroxy-1,4-naphthoquinone[1]

This dataset contains NMR spectra obtained for the sample containing 2-Hydroxy-1,4-naphthoquinone

InChI	InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
SMILES	O=C1C=C(O)C(=O)C2=C1C=CC=C2
InChI Key	CSFWPUWCSPOLJW-UHFFFAOYSA-N
Molecular Formula	C10H6O3
Exact Mass	174.150 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p42.s1316.d5785
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5785
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
CHEMBL240963	ChEMBL
C10368	KEGG Ligand
NQ	PDBe
50049066	BindingDB
J4.642F	Nikkaji
HY-N2493	MedChemExpress
TELYAK	CCDC
DTXSID2025428	EPA CompTox Dashboard
PD001335	ProbesDrugs
TLH4A6LV1W	FDA SRS
15339758	PubChem: Thomson Pharma
SCHEMBL16541	SureChEMBL
83-72-7	ACToR
539195	eMolecules
162845	Brenda
21700	Brenda
DB04744	DrugBank
CB2493073	ChemicalBook
ZINC000004632115	ZINC
10704	Brenda
2536	Brenda
44401	ChEBI
MCULE-8698811000	Mcule
20143612	NMRShiftDB
The data in this table is sourced from UniChem at EBI.