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/C16H15NO2S/c1-3-17(13-15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16/h1,4-12H,13H2,2H3
SMILES C#CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
InChI Key VLGDAJJQNOQJRW-UHFFFAOYSA-N
Molecular Formula C16H15NO2S
Exact Mass 285.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLGDAJJQNOQJRW-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/VLGDAJJQNOQJRW-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:18:59.937601
MetadataModified 2024-09-07T13:43:55.458015
MetadataPublished 2014-08-14
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00451871 EPA CompTox Dashboard
J1.378.556B Nikkaji
11011556 PubChem
16073002 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.