Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;
SMILES C1CC=CCCC=C1.Cl[Pd]Cl
InChI Key RRHPTXZOMDSKRS-PHFPKPIQSA-L
Molecular Formula C8H12Cl2Pd
Exact Mass 285.507 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RRHPTXZOMDSKRS-PHFPKPIQSA-L/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RRHPTXZOMDSKRS-PHFPKPIQSA-L/CHMO0000630
Version
Author Mirja Dinkel
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-05
Related Molecule
  • (1Z,5Z)-cycloocta-1,5-diene;dichloropalladium
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5702536 PubChem
    SCHEMBL200261 SureChEMBL
    6436380 PubChem
    493917 eMolecules
    36729784 eMolecules
    16682471 PubChem: Thomson Pharma
    16134114 PubChem: Thomson Pharma
    14873201 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.