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/C8H10BrN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
SMILES CNCc1cccc(c1)Br
InChI Key QCEANFBGRBLXHN-UHFFFAOYSA-N
Exact Mass 200.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCEANFBGRBLXHN-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QCEANFBGRBLXHN-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:06:49.634710
MetadataModified 2024-09-23T09:22:26.655920
MetadataPublished 2024-02-26
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : JAL-CCP-3704 (CDCl3)

date : 20240214

starting time : 10.03 h

instrument : spect

label : JAL-3

id : 112163

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
457588 PubChem
SCHEMBL662360 SureChEMBL
67344-77-8 ACToR
CB1329230 ChemicalBook
CHEMBL1183004 ChEMBL
525092 eMolecules
DTXSID80217694 EPA CompTox Dashboard
ZINC000000516930 ZINC
MolPort-000-935-460 MolPort
The data in this table is sourced from UniChem at EBI.