Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\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/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/TUKWYJVGKNCDJJ-GHXNOFRVSA-N/NMR/1H/CDCl3/250
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:28:49.301117
MetadataModified 2024-09-07T12:39:37.678086
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000033846629 ZINC
SCHEMBL7246133 SureChEMBL
6537078 PubChem
The data in this table is sourced from UniChem at EBI.