Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H4ClIN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
SMILES Ic1ccc(c(n1)Cl)N
InChI Key LXHPKNMJRJBWRP-UHFFFAOYSA-N
Molecular Formula C5H4ClIN2
Exact Mass 254.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LXHPKNMJRJBWRP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LXHPKNMJRJBWRP-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:23:28.817224
MetadataModified 2024-09-07T15:32:11.044012
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000035270432 ZINC
SCHEMBL16979654 SureChEMBL
DTXSID90673863 EPA CompTox Dashboard
46736777 PubChem
27677276 eMolecules
The data in this table is sourced from UniChem at EBI.