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/C11H8F5IO2/c1-2-19-9(18)6-3-4-8(17)7(5-6)10(12,13)11(14,15)16/h3-5H,2H2,1H3
SMILES CCOC(=O)c1ccc(c(c1)C(C(F)(F)F)(F)F)I
InChI Key DYWJNTWCKZLGLP-UHFFFAOYSA-N
Molecular Formula C11H8F5IO2
Exact Mass 394.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYWJNTWCKZLGLP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/DYWJNTWCKZLGLP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:02:11.533927
MetadataModified 2024-09-07T13:29:19.733826
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
72193125 PubChem
ZINC000205758726 ZINC
The data in this table is sourced from UniChem at EBI.