Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2
SMILES BrCc1ccc(c(c1)Br)CBr
InChI Key QOTLBTLQTHPRIW-UHFFFAOYSA-N
Exact Mass 342.853 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/QOTLBTLQTHPRIW-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:28:43.917936
MetadataModified 2024-09-19T09:38:36.946285
MetadataPublished
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : Jan19-2024

date : 20240119

starting time : 17.12 h

instrument : Avance NEO

label : KT-660

id : 291403

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
19900-52-8 ACToR
262239 PubChem
7415970 eMolecules
ZINC000001621359 ZINC
DTXSID70294272 EPA CompTox Dashboard
CB93204327 ChemicalBook
VEJRAF CCDC
J3.165.921C Nikkaji
SCHEMBL3373171 SureChEMBL
The data in this table is sourced from UniChem at EBI.