Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C6Cl3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
SMILES Clc1c(I)c(Cl)c(c(c1I)Cl)I
InChI Key RCCCCPGFWUMWDX-UHFFFAOYSA-N
Molecular Formula C6Cl3I3
Exact Mass 559.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RCCCCPGFWUMWDX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RCCCCPGFWUMWDX-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:31:37.436028
MetadataModified 2024-09-07T15:44:27.162090
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2234460 SureChEMBL
16518199 PubChem: Thomson Pharma
11421610 PubChem
J2.319.349C Nikkaji
CB82693235 ChemicalBook
DTXSID10465308 EPA CompTox Dashboard
UCEPAU CCDC
ZINC000100041168 ZINC
The data in this table is sourced from UniChem at EBI.