Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H
SMILES c1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1
InChI Key ODOQKWUKLACHRO-UHFFFAOYSA-N
Molecular Formula C15H14N2
Exact Mass 222.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODOQKWUKLACHRO-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ODOQKWUKLACHRO-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:20:28.876574
MetadataModified 2024-09-07T15:27:47.829274
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
4352199 eMolecules
J788.799J Nikkaji
CHEMBL2420138 ChEMBL
MCULE-7055108883 Mcule
SCHEMBL270836 SureChEMBL
LAFYIA CCDC
16878948 PubChem: Thomson Pharma
4327513 PubChem
ZINC000005772967 ZINC
DTXSID60401973 EPA CompTox Dashboard
CB2269210 ChemicalBook
The data in this table is sourced from UniChem at EBI.