Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H8FNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
SMILES Fc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key MWIDLEVLPMTJDU-UHFFFAOYSA-N
Molecular Formula C13H8FNS
Exact Mass 229.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:38:45.940222
MetadataModified 2024-09-07T17:15:21.464990
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
242879 PubChem
MCULE-3690427086 Mcule
CHEMBL1908905 ChEMBL
1629-26-1 ACToR
1830780 eMolecules
16192543 PubChem: Thomson Pharma
SCHEMBL562905 SureChEMBL
J1.834.640K Nikkaji
ZINC000000507650 ZINC
DTXSID20287634 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.