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/C19H21NOS/c1-15-6-5-9-18(10-15)20-22(21,19-11-17(12-19)13-19)14-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3
SMILES Cc1cccc(c1)N=S(=O)(C12CC(C1)C2)Cc1ccccc1
InChI Key VPKNGPRXVATLJS-UHFFFAOYSA-N
Molecular Formula C19H21NOS
Exact Mass 311.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VPKNGPRXVATLJS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VPKNGPRXVATLJS-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:13:28.801499
MetadataModified 2024-09-07T16:43:08.889553
MetadataPublished 2020-02-17
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145926365 PubChem
The data in this table is sourced from UniChem at EBI.