Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
SMILES Cc1ccc2c(n1)c(N)ccc2
InChI Key JHIAOWGCGNMQKA-UHFFFAOYSA-N
Molecular Formula C10H10N2
Exact Mass 158.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHIAOWGCGNMQKA-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/JHIAOWGCGNMQKA-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:13:49.946727
MetadataModified 2024-09-07T21:54:00.455480
MetadataPublished 2022-02-18
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1717263 ChEMBL
812071 eMolecules
LSM-18639 LINCS
SCHEMBL230460 SureChEMBL
16056643 PubChem: Thomson Pharma
18978-78-4 ACToR
B50L4NE5JU FDA SRS
140457 PubChem
J82.817C Nikkaji
MCULE-1814309915 Mcule
ZINC000011535697 ZINC
107285 ChEBI
DTXSID60172398 EPA CompTox Dashboard
CB5318814 ChemicalBook
The data in this table is sourced from UniChem at EBI.