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/C13H18O3S/c1-13(2,3)11-16-17(14,15)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b10-9+
SMILES CC(COS(=O)(=O)/C=C/c1ccccc1)(C)C
InChI Key JSPSUKCDZRFMIT-MDZDMXLPSA-N
Molecular Formula C13H18O3S
Exact Mass 254.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSPSUKCDZRFMIT-MDZDMXLPSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JSPSUKCDZRFMIT-MDZDMXLPSA-N/CHMO0000595
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:15:11.486509
MetadataModified 2025-01-29T16:08:17.170809
MetadataPublished 2024-10-15
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL16742166 SureChEMBL
The data in this table is sourced from UniChem at EBI.