Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H15NO4/c21-17-6-3-7-19-15(17)11-13-10-12(8-9-18(13)24-19)14-4-1-2-5-16(14)20(22)23/h1-2,4-5,8-11,19H,3,6-7H2
SMILES O=C1CCCC2C1=Cc1cc(ccc1O2)c1ccccc1[N+](=O)[O-]
InChI Key PTMSEVNPUOYXOY-UHFFFAOYSA-N
Molecular Formula C19H15NO4
Exact Mass 321.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PTMSEVNPUOYXOY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PTMSEVNPUOYXOY-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-(2-nitrophenyl)-2,3,4,4a-tetrahydroxanthen-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453739 pubchem
    The data in this table is sourced from UniChem at EBI.