Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
SMILES BrCc1cccc(n1)CBr
InChI Key QUTSYCOAZVHGGT-UHFFFAOYSA-N
Molecular Formula C7H7Br2N
Exact Mass 264.945 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:23:33.685541
MetadataModified 2024-09-08T03:23:33.685546
MetadataPublished 2024-04-30
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9596280251 Mcule
603610 PubChem
505158 eMolecules
SCHEMBL245158 SureChEMBL
15949914 PubChem: Thomson Pharma
CB7192135 ChemicalBook
ZINC000002556953 ZINC
DTXSID70345314 EPA CompTox Dashboard
RIPPUD CCDC
J752.400E Nikkaji
The data in this table is sourced from UniChem at EBI.