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/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H
SMILES Brc1nc2ccccc2nc1c1ccccc1
InChI Key VSSFGRBIDNAUHK-UHFFFAOYSA-N
Molecular Formula C14H9BrN2
Exact Mass 285.139 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VSSFGRBIDNAUHK-UHFFFAOYSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:50:08.407893
MetadataModified 2024-09-07T17:30:55.440774
MetadataPublished 2020-04-08
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables