Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
SMILES CNC(=S)NC
InChI Key VLCDUOXHFNUCKK-UHFFFAOYSA-N
Molecular Formula C3H8N2S
Exact Mass 104.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLCDUOXHFNUCKK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VLCDUOXHFNUCKK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N,N'-dimethylcarbamimidothioic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3189044 chembl
    12149464 surechembl
    3499190 surechembl
    3499193 surechembl
    45851 surechembl
    2723631 pubchem
    8P30PMD17W fdasrs
    PD158360 probes_and_drugs
    HAMPAQ CCDC
    125017 brenda
    HMDB0255274 hmdb
    Molport-003-932-250 molport
    50607936 bindingdb
    The data in this table is sourced from UniChem at EBI.