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/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
SMILES Oc1cccc(c1)c1nc2c(s1)cccc2
InChI Key JIWVTDBBMGSTFI-UHFFFAOYSA-N
Molecular Formula C13H9NOS
Exact Mass 227.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/JIWVTDBBMGSTFI-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Jérôme Wagner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:32:41.765034
MetadataModified 2024-09-07T17:07:05.711570
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.