Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12IN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
SMILES Ic1ccc2c(c1)C(C)(C)C(=N2)C
InChI Key GCSMQZIBGLQVLL-UHFFFAOYSA-N
Molecular Formula C11H12IN
Exact Mass 285.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCSMQZIBGLQVLL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GCSMQZIBGLQVLL-UHFFFAOYSA-N/IR
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-03-25
Related Molecule
  • 5-iodo-2,3,3-trimethylindole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.770.238F Nikkaji
    21858026 PubChem
    SCHEMBL2344035 SureChEMBL
    49686572 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.