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
15912245 PubChem: Thomson Pharma
25245-34-5 ACToR
91353 PubChem
MCULE-6811337216 Mcule
SCHEMBL258418 SureChEMBL
20207408 NMRShiftDB
J236.103E Nikkaji
CB1444821 ChemicalBook
DTXSID8067070 EPA CompTox Dashboard
ZINC000000056597 ZINC
152502 BindingDB
492108 eMolecules
The data in this table is sourced from UniChem at EBI.