Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4,6,12H
SMILES OC(C(F)(F)F)c1cccnc1
InChI Key LHXKPHQPUHHFQW-UHFFFAOYSA-N
Molecular Formula C7H6F3NO
Exact Mass 177.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHXKPHQPUHHFQW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/LHXKPHQPUHHFQW-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Franziska Glaeser
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:47:16.643580
MetadataModified 2024-09-07T13:07:06.775310
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
11217557 PubChem
32445745 eMolecules
16300305 PubChem: Thomson Pharma
DTXSID00459014 EPA CompTox Dashboard
SCHEMBL2422771 SureChEMBL
J1.316.451G Nikkaji
MCULE-3715654770 Mcule
The data in this table is sourced from UniChem at EBI.