Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H11BrN2O2/c15-11-5-4-10-12-8(11)2-1-3-9(12)13(18)17(7-6-16)14(10)19/h1-5H,6-7,16H2
SMILES NCCn1c(=O)c2cccc3c2c(c1=O)ccc3Br
InChI Key RXTDJXDISWDSGQ-UHFFFAOYSA-N
Molecular Formula C14H11BrN2O2
Exact Mass 319.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RXTDJXDISWDSGQ-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/RXTDJXDISWDSGQ-UHFFFAOYSA-N/IR.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-11
Related Molecule
  • 2-(2-aminoethyl)-6-bromobenzo[de]isoquinoline-1,3-dione
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    45921378 PubChem
    ZINC000095470789 ZINC
    J2.907.874B Nikkaji
    MCULE-5583196536 Mcule
    CHEMBL2385927 ChEMBL
    The data in this table is sourced from UniChem at EBI.