Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C10H7BrO/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H
SMILES Oc1cc2ccccc2c(c1)Br
InChI Key PQNQMYMGUXGWTG-UHFFFAOYSA-N
Molecular Formula C10H7BrO
Exact Mass 223.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/PQNQMYMGUXGWTG-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-05
Related Molecule
  • 4-bromonaphthalen-2-ol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1055937 SureChEMBL
    12115596 PubChem
    DTXSID40477818 EPA CompTox Dashboard
    CB63039009 ChemicalBook
    J1.074.214E Nikkaji
    ZINC000038860882 ZINC
    The data in this table is sourced from UniChem at EBI.