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/C8H6F3NO2/c1-5-3-2-4-6(12(13)14)7(5)8(9,10)11/h2-4H,1H3
SMILES [O-][N+](=O)c1cccc(c1C(F)(F)F)C
InChI Key QSNTZLUZBNSESZ-UHFFFAOYSA-N
Molecular Formula C8H6F3NO2
Exact Mass 205.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QSNTZLUZBNSESZ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/QSNTZLUZBNSESZ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:42:25.764535
MetadataModified 2024-09-07T12:59:52.060166
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
17995664 PubChem
31260908 eMolecules
SCHEMBL10338398 SureChEMBL
ZINC000066323198 ZINC
The data in this table is sourced from UniChem at EBI.