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/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
SMILES CCC(=O)CC(C(=C1SCCS1)c1ccccc1)C
InChI Key GQDXLOBJYIWLJL-UHFFFAOYSA-N
Molecular Formula C16H20OS2
Exact Mass 292.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQDXLOBJYIWLJL-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/GQDXLOBJYIWLJL-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:21:52.853175
MetadataModified 2024-09-07T14:16:30.513614
MetadataPublished 2018-04-28
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
133053730 PubChem
The data in this table is sourced from UniChem at EBI.