Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7NO5/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,10H,1H3
SMILES [O-][N+](=O)c1ccc(cc1C(=O)OC)O
InChI Key VYLLCOXNYMTKMD-UHFFFAOYSA-N
Molecular Formula C8H7NO5
Exact Mass 197.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VYLLCOXNYMTKMD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VYLLCOXNYMTKMD-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • methyl 5-hydroxy-2-nitrobenzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    268199 surechembl
    12922678 pubchem
    DTXSID50513054 comptox
    Molport-009-014-412 molport
    The data in this table is sourced from UniChem at EBI.