Dataset

nuclear magnetic resonance spectroscopy (NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H11FIN/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
SMILES Fc1ccc(cc1)CNc1ccccc1I
InChI Key RNGQLVKAGGXNHR-UHFFFAOYSA-N
Molecular Formula C13H11FIN
Exact Mass 327.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000591
License URL
Source https://www.chemotion-repository.net/inchikey/RNGQLVKAGGXNHR-UHFFFAOYSA-N/CHMO0000591
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:00:10.383104
MetadataModified 2024-09-07T16:25:01.334094
MetadataPublished 2020-02-03
Field Value
Measurement Technique nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
28878561 PubChem
ZINC000020360847 ZINC
The data in this table is sourced from UniChem at EBI.