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/C9H6F3NO2/c10-9(11,12)6-5-7-1-3-8(4-2-7)13(14)15/h1-6H/b6-5+
SMILES FC(/C=C/c1ccc(cc1)[N+](=O)[O-])(F)F
InChI Key WGVJEEXBVPTTFU-AATRIKPKSA-N
Molecular Formula C9H6F3NO2
Exact Mass 217.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WGVJEEXBVPTTFU-AATRIKPKSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/WGVJEEXBVPTTFU-AATRIKPKSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:01:27.097181
MetadataModified 2024-09-07T13:28:15.507114
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15984732 PubChem: Thomson Pharma
SCHEMBL2997200 SureChEMBL
ZINC000034569376 ZINC
10932870 PubChem
The data in this table is sourced from UniChem at EBI.