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/C13H9ClN2S/c1-8-2-3-10-11(6-8)17-13(16-10)9-4-5-15-12(14)7-9/h2-7H,1H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccnc(c1)Cl
InChI Key ORVHFNYZXLMSAN-UHFFFAOYSA-N
Molecular Formula C13H9ClN2S
Exact Mass 260.742 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:35:05.855468
MetadataModified 2024-09-07T17:10:31.951708
MetadataPublished 2020-02-28
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables