Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
SMILES S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)F
InChI Key SNQABJUAAUNSEJ-UHFFFAOYSA-N
Molecular Formula C13H10F2N2S
Exact Mass 264.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SNQABJUAAUNSEJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SNQABJUAAUNSEJ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:12:55.924104
MetadataModified 2024-09-07T15:16:37.931150
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL10099725 SureChEMBL
MCULE-9780039291 Mcule
2826649 PubChem
404-52-4 ACToR
858128 eMolecules
CB43339941 ChemicalBook
MEFLAM CCDC
J1.874.413I Nikkaji
ZINC000006512465 ZINC
DTXSID30385099 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.