Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H2Br2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H
SMILES Brc1cc([N+](=O)[O-])c(cc1Br)[N+](=O)[O-]
InChI Key DOPFANUPBFALEA-UHFFFAOYSA-N
Molecular Formula C6H2Br2N2O4
Exact Mass 325.899 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOPFANUPBFALEA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DOPFANUPBFALEA-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:06:59.005957
MetadataModified 2025-03-09T03:16:10.755386
MetadataPublished 2025-03-07
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12196943 PubChem
SCHEMBL2249179 SureChEMBL
ZINC000118429476 ZINC
The data in this table is sourced from UniChem at EBI.