Dataset

4-Hydroxy-3-Iodo-biphenyl[6]

4-Hydroxy-3-Iodo-biphenyl

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p9.s52.d195
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D195
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:22:44.000000Z
Related Molecule
  • 2-iodo-4-phenylphenol
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    NMR solvent : CDCl3

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

    NMR spectrum by dimensionality : 2

    NMR probe : Z130037_0004 (CPP BBO 600S3 BB-H&F-D-05 Z ET)

    Temperature : 297.9984 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 2 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsisp

    Spectral Width : [2.76792880356195, 94.6573766511468]

    number of data points : 1 points

    relaxation time measurement : 1.762773 seconds

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