Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8H,1-2H3
SMILES Cc1nc(C)cc(c1)C(=O)c1ccccc1[N+](=O)[O-]
InChI Key FRUIOTIVENFZJQ-UHFFFAOYSA-N
Molecular Formula C14H12N2O3
Exact Mass 256.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-21
Related Molecule
  • (2,6-dimethylpyridin-4-yl)-(2-nitrophenyl)methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162369935 PubChem
    The data in this table is sourced from UniChem at EBI.