Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H14N2O2/c19-11-10-18-14-9-5-4-8-13(14)17-15(16(18)20)12-6-2-1-3-7-12/h1-9,19H,10-11H2
SMILES OCCn1c(=O)c(nc2c1cccc2)c1ccccc1
InChI Key SXXGOOBOAMKLGI-UHFFFAOYSA-N
Molecular Formula C16H14N2O2
Exact Mass 266.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXXGOOBOAMKLGI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SXXGOOBOAMKLGI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:09:34.377290
MetadataModified 2024-09-07T15:11:38.778027
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
67229618 PubChem
SCHEMBL1963617 SureChEMBL
The data in this table is sourced from UniChem at EBI.