Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H26N2O5S/c1-3-29-22(27)9-6-12-25-19-8-5-4-7-18(19)24-23(25)31-14-13-30-20-11-10-17(16-26)15-21(20)28-2/h4-5,7-8,10-11,15-16H,3,6,9,12-14H2,1-2H3
SMILES CCOC(=O)CCCn1c(SCCOc2ccc(cc2OC)C=O)nc2c1cccc2
InChI Key MBDTWCBBPWUJFI-UHFFFAOYSA-N
Molecular Formula C23H26N2O5S
Exact Mass 442.528 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MBDTWCBBPWUJFI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/MBDTWCBBPWUJFI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • ethyl 4-[2-[2-(4-formyl-2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042813 PubChem
    The data in this table is sourced from UniChem at EBI.