Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C12H9IO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
SMILES Ic1ccccc1Oc1ccccc1
InChI Key AOZLGVLVAJRLPS-UHFFFAOYSA-N
Molecular Formula C12H9IO
Exact Mass 296.104 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-16
Related Molecule
  • 1-iodo-2-phenoxybenzene
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : SG-V4307 (2-9)

    date : 20240827

    starting time : 19.10 h

    label : SG-3816

    id : 322411

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    1869607 surechembl
    12889355 pubchem
    Molport-005-940-175 molport
    The data in this table is sourced from UniChem at EBI.