Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H18O3S2/c1-3-4-7-19-20-10-11-8-15(16)18-14-9-12(17-2)5-6-13(11)14/h5-6,8-9H,3-4,7,10H2,1-2H3
SMILES CCCCSSCc1cc(=O)oc2c1ccc(c2)OC
InChI Key GXALHTZPHVTVIH-UHFFFAOYSA-N
Exact Mass 310.432 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXALHTZPHVTVIH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GXALHTZPHVTVIH-UHFFFAOYSA-N/CHMO0000595
Version
Author Lucie Wohlrábová
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-27
Related Molecule
Field Value
Measurement Technique CHMO:0000595
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.