Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H4ClNO/c6-5-1-3-7(8)4-2-5/h1-4H
SMILES [O-][n+]1ccc(cc1)Cl
InChI Key DPJVRASYWYOFSJ-UHFFFAOYSA-N
Molecular Formula C5H4ClNO
Exact Mass 129.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPJVRASYWYOFSJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DPJVRASYWYOFSJ-UHFFFAOYSA-N/IR
Version
Author Hannes Kühner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:49:51.496019
MetadataModified 2024-09-07T14:43:18.978500
MetadataPublished 2019-02-05
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000407058 ZINC
DTXSID0041513 EPA CompTox Dashboard
J7.265F Nikkaji
CHEMBL3186776 ChEMBL
ZZZRKK CCDC
CB5232071 ChemicalBook
70724 PubChem
1121-76-2 ACToR
16213985 PubChem: Thomson Pharma
F3196UEB9Q FDA SRS
SCHEMBL133666 SureChEMBL
490336 eMolecules
The data in this table is sourced from UniChem at EBI.