Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
SMILES Oc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key ODMDLCWSMSFWCW-UHFFFAOYSA-N
Molecular Formula C13H9NOS
Exact Mass 227.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODMDLCWSMSFWCW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ODMDLCWSMSFWCW-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:35:21.936467
MetadataModified 2024-09-07T17:10:53.551664
MetadataPublished 2020-02-28
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables