Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
SMILES Br/C=C(/c1ccccc1)\C
InChI Key CWQZIGGWSCPOPK-BQYQJAHWSA-N
Molecular Formula C9H9Br
Exact Mass 197.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWQZIGGWSCPOPK-BQYQJAHWSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CWQZIGGWSCPOPK-BQYQJAHWSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:43:24.969229
MetadataModified 2024-09-07T13:01:23.526984
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
6392845 PubChem
ZINC000083253397 ZINC
SCHEMBL4951375 SureChEMBL
The data in this table is sourced from UniChem at EBI.