Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES ClC1(N=N1)c1ccc(cc1)Br
InChI Key RULCXVAUZIXNGP-UHFFFAOYSA-N
Molecular Formula C7H4BrClN2
Exact Mass 231.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000630
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:42:43.535640
MetadataModified 2024-09-08T03:42:43.535646
MetadataPublished 2024-05-21
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
21723954 PubChem
The data in this table is sourced from UniChem at EBI.