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/C18H19NS/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)C(C)(C)C
InChI Key KMWDVZIQOFYBIA-UHFFFAOYSA-N
Molecular Formula C18H19NS
Exact Mass 281.415 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:32:28.850212
MetadataModified 2024-09-07T17:07:01.586137
MetadataPublished 2020-02-28
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables