Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-2-1-7-3-4-14-6-8(7)5-9/h1-6H
SMILES O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)cncc2
InChI Key PIWPQQGMFPDEON-UHFFFAOYSA-N
Molecular Formula C10H6F3NO3S
Exact Mass 277.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIWPQQGMFPDEON-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PIWPQQGMFPDEON-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:12:38.245562
MetadataModified 2024-09-07T15:16:12.408374
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1401395 SureChEMBL
15171928 PubChem
DTXSID00569521 EPA CompTox Dashboard
ZINC000059072270 ZINC
The data in this table is sourced from UniChem at EBI.