Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
SMILES O=C1C(=O)Nc2c1cccc2
InChI Key JXDYKVIHCLTXOP-UHFFFAOYSA-N
Molecular Formula C8H5NO2
Exact Mass 147.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JXDYKVIHCLTXOP-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JXDYKVIHCLTXOP-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1H-indole-2,3-dione
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02095 drugbank
    CHEBI:27539 chebi
    ISN rcsb_pdb
    CHEMBL326294 chembl
    28614049 surechembl
    31087266 surechembl
    34016 surechembl
    7073534 surechembl
    7054 pubchem
    82X95S7M06 fdasrs
    PD008558 probes_and_drugs
    ISATIN CCDC
    135332 brenda
    163986 brenda
    227241 brenda
    227512 brenda
    805 brenda
    HMDB0061933 hmdb
    Molport-000-871-222 molport
    11022 bindingdb
    The data in this table is sourced from UniChem at EBI.