Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6BrN3O4/c9-5-1-3(7(10)13)4(8(11)14)2-6(5)12(15)16/h1-2H,(H2,10,13)(H2,11,14)
SMILES NC(=O)c1cc([N+](=O)[O-])c(cc1C(=O)N)Br
InChI Key BNJUNDLZPDYJHS-UHFFFAOYSA-N
Molecular Formula C8H6BrN3O4
Exact Mass 288.055 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BNJUNDLZPDYJHS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/BNJUNDLZPDYJHS-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 4-bromo-5-nitrobenzene-1,2-dicarboxamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL14509156 SureChEMBL
    17435565 PubChem: Thomson Pharma
    11984511 PubChem
    The data in this table is sourced from UniChem at EBI.