Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H13Br2NO/c23-15-8-10-19-21(12-15)26-22-13-16(24)9-11-20(22)25(19)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H
SMILES Brc1ccc2c(c1)Oc1c(N2c2cccc3c2cccc3)ccc(c1)Br
InChI Key DZYNHFYPLMTCCT-UHFFFAOYSA-N
Molecular Formula C22H13Br2NO
Exact Mass 467.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DZYNHFYPLMTCCT-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DZYNHFYPLMTCCT-UHFFFAOYSA-N/CHMO0000630
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • 3,7-dibromo-10-naphthalen-1-ylphenoxazine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    129074759 PubChem
    SCHEMBL18790545 SureChEMBL
    The data in this table is sourced from UniChem at EBI.