Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H8I2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
SMILES COc1cc(I)c(cc1I)OC
InChI Key GLVOXVCTGAISRY-UHFFFAOYSA-N
Molecular Formula C8H8I2O2
Exact Mass 389.957 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GLVOXVCTGAISRY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GLVOXVCTGAISRY-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:16:36.770866
MetadataModified 2024-09-07T15:22:07.290179
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10348627 EPA CompTox Dashboard
ZINC000004127654 ZINC
CB5235719 ChemicalBook
MCULE-2799980083 Mcule
J628.786G Nikkaji
10018850 NMRShiftDB
SCHEMBL481337 SureChEMBL
639173 PubChem
51560-21-5 ACToR
15875608 PubChem: Thomson Pharma
724035 eMolecules
The data in this table is sourced from UniChem at EBI.