Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-5-10(8-9)13-7-3-6-12-13/h2-8H,1H3
SMILES COC(=O)c1cccc(c1)n1cccn1
InChI Key FNFWFAVDUMMRJN-UHFFFAOYSA-N
Molecular Formula C11H10N2O2
Exact Mass 202.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FNFWFAVDUMMRJN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FNFWFAVDUMMRJN-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:10:18.021927
MetadataModified 2024-09-07T15:12:43.994272
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
36728697 eMolecules
11171669 PubChem
SCHEMBL6167291 SureChEMBL
16251473 PubChem: Thomson Pharma
MCULE-2786716458 Mcule
J2.071.919B Nikkaji
ZINC000038325311 ZINC
The data in this table is sourced from UniChem at EBI.