Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H4BrClN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
SMILES Brc1ccc(c(n1)Cl)N
InChI Key YCECOMBEVDPUJG-UHFFFAOYSA-N
Molecular Formula C5H4BrClN2
Exact Mass 207.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCECOMBEVDPUJG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YCECOMBEVDPUJG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:23:31.333446
MetadataModified 2024-09-07T15:32:14.610736
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
830450 eMolecules
SCHEMBL857644 SureChEMBL
169833-70-9 ACToR
ZINC000002456095 ZINC
2050085 PubChem
MCULE-6916137993 Mcule
DTXSID40365983 EPA CompTox Dashboard
CB8688035 ChemicalBook
The data in this table is sourced from UniChem at EBI.