Dataset

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

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

Chemical Info

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
MetadataCreated 2024-09-08T04:02:45.433555
MetadataModified 2024-09-08T04:02:45.433561
MetadataPublished 2024-07-05
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.