Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H16N2O3S/c1-2-18-12(17)9-15-11-6-4-3-5-10(11)14-13(15)19-8-7-16/h3-6,16H,2,7-9H2,1H3
SMILES OCCSc1nc2c(n1CC(=O)OCC)cccc2
InChI Key UENSIPLKPQKHBU-UHFFFAOYSA-N
Molecular Formula C13H16N2O3S
Exact Mass 280.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UENSIPLKPQKHBU-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/UENSIPLKPQKHBU-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • ethyl 2-[2-(2-hydroxyethylsulfanyl)benzimidazol-1-yl]acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042808 PubChem
    The data in this table is sourced from UniChem at EBI.