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/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)S)N
InChI Key VUMZNLOQJGKGNE-UHFFFAOYSA-N
Molecular Formula C7H9NS
Exact Mass 139.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:27:54.744430
MetadataModified 2024-09-07T17:00:42.497264
MetadataPublished 2020-02-28
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables