Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H9BrN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3
SMILES Brc1ccc2c(c1)nc(c(n2)C)C
InChI Key ZTXMEAHJDKXXFH-UHFFFAOYSA-N
Molecular Formula C10H9BrN2
Exact Mass 237.096 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZTXMEAHJDKXXFH-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ZTXMEAHJDKXXFH-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:17:48.969029
MetadataModified 2024-09-08T04:17:48.969034
MetadataPublished 2024-07-31
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
616892 PubChem
J586.569G Nikkaji
35878230 eMolecules
SCHEMBL4143144 SureChEMBL
DTXSID00346990 EPA CompTox Dashboard
MolPort-009-683-113 MolPort
ZINC000032257267 ZINC
The data in this table is sourced from UniChem at EBI.