Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H7N3O4/c16-14(17)7-1-3-11-9(5-7)10-6-8(15(18)19)2-4-12(10)13-11/h1-6,13H
SMILES [O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-]
InChI Key IARXLBTXILYASE-UHFFFAOYSA-N
Molecular Formula C12H7N3O4
Exact Mass 257.202 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IARXLBTXILYASE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IARXLBTXILYASE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3,6-dinitro-9H-carbazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155013 surechembl
    29540314 surechembl
    76730 pubchem
    L5YYP3DVN9 fdasrs
    Molport-002-474-838 molport
    The data in this table is sourced from UniChem at EBI.