Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17)
SMILES O=c1[nH]c2ccccc2nc1c1ccccc1
InChI Key ZBBQSGVRBQKLLE-UHFFFAOYSA-N
Molecular Formula C14H10N2O
Exact Mass 222.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000630.2
License URL
Source https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000630.2
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:18:54.190590
MetadataModified 2024-09-08T04:18:54.190595
MetadataPublished 2024-07-31
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1392897 ChEMBL
108113 ChEBI
DTXSID60323944 EPA CompTox Dashboard
56750 BindingDB
J466.201F Nikkaji
MUYQUU CCDC
919675 eMolecules
2176538 eMolecules
MCULE-4361151617 Mcule
346902 PubChem
20182089 NMRShiftDB
SCHEMBL1901480 SureChEMBL
ZINC000017945129 ZINC
LSM-19490 LINCS
1504-78-5 ACToR
The data in this table is sourced from UniChem at EBI.