Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H7NO2/c1-6-9(11)12-8-5-3-2-4-7(8)10-6/h2-5H,1H3
SMILES O=c1oc2ccccc2nc1C
InChI Key PEEMVDRTQBESEN-UHFFFAOYSA-N
Molecular Formula C9H7NO2
Exact Mass 161.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/PEEMVDRTQBESEN-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:34:40.694017
MetadataModified 2024-09-07T14:08:19.664393
MetadataPublished 2015-10-30
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20227338 EPA CompTox Dashboard
J67.851A Nikkaji
SCHEMBL17536884 SureChEMBL
CHEMBL1552794 ChEMBL
7653-60-3 ACToR
24302 PubChem
The data in this table is sourced from UniChem at EBI.