Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H22O4S/c1-13-7-9-15(10-8-13)20(16,17)19-12-3-2-5-14-6-4-11-18-14/h7-10,14H,2-6,11-12H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCC1CCCO1
InChI Key HIZYREJNJOOIKI-UHFFFAOYSA-N
Molecular Formula C15H22O4S
Exact Mass 298.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HIZYREJNJOOIKI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HIZYREJNJOOIKI-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 4-(oxolan-2-yl)butyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646786 pubchem
    The data in this table is sourced from UniChem at EBI.