Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H10F2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
SMILES S=C(Nc1ccccc1F)Nc1ccccc1F
InChI Key ZBMLHTDWAFZBDE-UHFFFAOYSA-N
Molecular Formula C13H10F2N2S
Exact Mass 264.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBMLHTDWAFZBDE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZBMLHTDWAFZBDE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:13:37.441626
MetadataModified 2024-09-07T15:17:39.887309
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1316297 ChEMBL
J658.418G Nikkaji
ZINC000000110038 ZINC
714569 PubChem
368-05-8 ACToR
SCHEMBL5449341 SureChEMBL
1467812 eMolecules
MCULE-6232280801 Mcule
The data in this table is sourced from UniChem at EBI.