Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H24N2O3S/c1-2-25-20(24)13-8-14-23-19-12-7-6-11-18(19)22-21(23)27-16-15-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3
SMILES CCOC(=O)CCCn1c(SCCOc2ccccc2)nc2c1cccc2
InChI Key XSPLZMULOSAGDE-UHFFFAOYSA-N
Molecular Formula C21H24N2O3S
Exact Mass 384.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XSPLZMULOSAGDE-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/XSPLZMULOSAGDE-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-02-15
Related Molecule
  • ethyl 4-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    118701004 PubChem
    The data in this table is sourced from UniChem at EBI.