Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
SMILES OC(=O)C1SCCCS1
InChI Key BZBYEAWKJNCPLB-UHFFFAOYSA-N
Molecular Formula C5H8O2S2
Exact Mass 164.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BZBYEAWKJNCPLB-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/BZBYEAWKJNCPLB-UHFFFAOYSA-N/IR.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:34:47.753867
MetadataModified 2024-09-07T14:08:26.775205
MetadataPublished 2015-10-30
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
GIW PDBe
J904.620H Nikkaji
ZINC000005217753 ZINC
DTXSID70174424 EPA CompTox Dashboard
CB7721085 ChemicalBook
36553993 eMolecules
20461-89-6 ACToR
SCHEMBL313459 SureChEMBL
303705 PubChem
The data in this table is sourced from UniChem at EBI.