Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H7ClINO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
SMILES ClCC(=O)Nc1ccc(cc1)I
InChI Key WIUVQCIRRAAPAX-UHFFFAOYSA-N
Molecular Formula C8H7ClINO
Exact Mass 295.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N/IR.2
License URL
Source https://www.chemotion-repository.net/inchikey/WIUVQCIRRAAPAX-UHFFFAOYSA-N/IR.2
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:40:55.927637
MetadataModified 2024-09-07T14:30:32.375605
MetadataPublished 2018-07-10
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1171687 ChEMBL
J1.589.940I Nikkaji
ZINC000000152932 ZINC
DTXSID20352831 EPA CompTox Dashboard
CB2773049 ChemicalBook
99220395 PubChem: Thomson Pharma
SCHEMBL2320435 SureChEMBL
735792 PubChem
857933 eMolecules
MCULE-7532914467 Mcule
The data in this table is sourced from UniChem at EBI.