Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H6F3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
SMILES O/N=C(\C(F)(F)F)/c1ccccc1
InChI Key TUKWYJVGKNCDJJ-GHXNOFRVSA-N
Molecular Formula C8H6F3NO
Exact Mass 189.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUKWYJVGKNCDJJ-GHXNOFRVSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TUKWYJVGKNCDJJ-GHXNOFRVSA-N/IR
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:28:44.304634
MetadataModified 2024-09-07T12:39:30.512145
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000033846629 ZINC
6537078 PubChem
SCHEMBL7246133 SureChEMBL
The data in this table is sourced from UniChem at EBI.