Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)
SMILES CSCCNc1ncnc2c1ncn2C(C)C
InChI Key NEHPRVYJYMNUAK-UHFFFAOYSA-N
Molecular Formula C11H17N5S
Exact Mass 251.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NEHPRVYJYMNUAK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NEHPRVYJYMNUAK-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-(2-methylsulfanylethyl)-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427267 PubChem
    The data in this table is sourced from UniChem at EBI.