Dataset

4-Hydroxy-3-Iodo-biphenyl.1d

Chemical Info

InChI	InChI=1S/C12H9IO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
SMILES	OC1=C(I)C=C(C2=CC=CC=C2)C=C1
InChI Key	RXRDOSHIMLSXKG-UHFFFAOYSA-N
Molecular Formula	C12H9IO
Exact Mass	296.100 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p9.s52.d198
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D198
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:32:57.558255
MetadataModified	2024-09-23T09:34:27.834979
MetadataPublished	2022-10-28 13:22:44

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z130037_0004 (CPP BBO 600S3 BB-H&F-D-05 Z ET) Temperature : 298.0018 K magnetic field strength : 14.095010340939984 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.0275882741182 number of data points : 47 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
MCULE-1487478304	Mcule
J338.592B	Nikkaji
MolPort-001-816-526	MolPort
DTXSID40399384	EPA CompTox Dashboard
ZINC000000400276	ZINC
SCHEMBL326717	SureChEMBL
525406	eMolecules
4106140	PubChem
24724959	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.