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/C18H19NOS/c1-14-6-5-7-16(10-14)19-21(20,17-8-3-2-4-9-17)18-11-15(12-18)13-18/h2-10,15H,11-13H2,1H3
SMILES Cc1cccc(c1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key KVWFYGGZAOGAFA-UHFFFAOYSA-N
Molecular Formula C18H19NOS
Exact Mass 297.415 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KVWFYGGZAOGAFA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KVWFYGGZAOGAFA-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:15:09.405230
MetadataModified 2024-09-07T16:45:19.336827
MetadataPublished 2020-02-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145926370 PubChem
The data in this table is sourced from UniChem at EBI.