Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H
SMILES O=Cc1cnc2c(n1)cccc2
InChI Key UJEHWLFUEQHEEZ-UHFFFAOYSA-N
Molecular Formula C9H6N2O
Exact Mass 158.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:01:49.669057
MetadataModified 2024-09-08T04:01:49.669062
MetadataPublished 2024-07-05
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB5740969 ChemicalBook
DTXSID50344042 EPA CompTox Dashboard
1593-08-4 ACToR
594088 PubChem
SCHEMBL97699 SureChEMBL
16544937 PubChem: Thomson Pharma
724662 eMolecules
ZINC000000241385 ZINC
VOBMOR CCDC
MCULE-2987536076 Mcule
J1.878.872A Nikkaji
The data in this table is sourced from UniChem at EBI.