Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H7BrN2/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9/h1-7H
SMILES Brc1ccc(nc1)c1ccccn1
InChI Key AWJPULCSDFBFDR-UHFFFAOYSA-N
Molecular Formula C10H7BrN2
Exact Mass 235.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AWJPULCSDFBFDR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/AWJPULCSDFBFDR-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:00.966350
MetadataModified 2024-09-07T15:13:45.592248
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
10889870 PubChem
DTXSID50447305 EPA CompTox Dashboard
J1.239.867K Nikkaji
15862-19-8 ACToR
SCHEMBL40547 SureChEMBL
15936898 PubChem: Thomson Pharma
30317014 eMolecules
CB7379196 ChemicalBook
ZINC000028536181 ZINC
The data in this table is sourced from UniChem at EBI.