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/C7H7BrO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
SMILES COc1ccc(c(c1)Br)O
InChI Key LTMSUXSPKZRMAB-UHFFFAOYSA-N
Exact Mass 203.033 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTMSUXSPKZRMAB-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LTMSUXSPKZRMAB-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:28:46.418607
MetadataModified 2024-09-23T09:26:16.017599
MetadataPublished 2024-08-09
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

Title : GH_17332-11-5_CDCl3

Date : 20240726

Starting time : 6.06 h

instrument : AVIII300

label : GEH-65

id : 119781

Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
297382 PubChem
MCULE-4094166143 Mcule
CB3717617 ChemicalBook
17332-11-5 ACToR
16288559 PubChem: Thomson Pharma
SCHEMBL320713 SureChEMBL
933537 eMolecules
ZINC000001673669 ZINC
DTXSID70304961 EPA CompTox Dashboard
MolPort-001-760-522 MolPort
J307.702K Nikkaji
The data in this table is sourced from UniChem at EBI.