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/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
SMILES COc1ccc(c(c1)Br)OC
InChI Key DWCGNRKFLRLWCJ-UHFFFAOYSA-N
Molecular Formula C8H9BrO2
Exact Mass 217.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DWCGNRKFLRLWCJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/DWCGNRKFLRLWCJ-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:20:23.792427
MetadataModified 2024-09-08T04:20:23.792432
MetadataPublished 2024-08-06
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
20207408 NMRShiftDB
CB1444821 ChemicalBook
J236.103E Nikkaji
DTXSID8067070 EPA CompTox Dashboard
ZINC000000056597 ZINC
152502 BindingDB
15912245 PubChem: Thomson Pharma
25245-34-5 ACToR
91353 PubChem
492108 eMolecules
MCULE-6811337216 Mcule
SCHEMBL258418 SureChEMBL
The data in this table is sourced from UniChem at EBI.