Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H15BrN2O2/c1-2-18-12(17)8-5-9-16-11-7-4-3-6-10(11)15-13(16)14/h3-4,6-7H,2,5,8-9H2,1H3
SMILES CCOC(=O)CCCn1c(Br)nc2c1cccc2
InChI Key ZRXLERDOVSODNU-UHFFFAOYSA-N
Molecular Formula C13H15BrN2O2
Exact Mass 311.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZRXLERDOVSODNU-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZRXLERDOVSODNU-UHFFFAOYSA-N/IR.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-03
Related Molecule
  • ethyl 4-(2-bromobenzimidazol-1-yl)butanoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76853104 pubchem
    The data in this table is sourced from UniChem at EBI.