Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
SMILES NC(=S)N
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Molecular Formula CH4N2S
Exact Mass 76.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMGDCJDMYOKAJW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UMGDCJDMYOKAJW-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • carbamimidothioic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    TOU rcsb_pdb
    CHEMBL260876 chembl
    1008 surechembl
    50650 surechembl
    2723790 pubchem
    GYV9AM2QAG fdasrs
    PD098596 probes_and_drugs
    THIOUR CCDC
    844 brenda
    HMDB0034155 hmdb
    Molport-000-872-069 molport
    50229993 bindingdb
    The data in this table is sourced from UniChem at EBI.