Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C23H28N2O3S/c1-4-27-21(26)13-8-14-25-20-12-6-5-11-19(20)24-23(25)29-16-15-28-22-17(2)9-7-10-18(22)3/h5-7,9-12H,4,8,13-16H2,1-3H3
SMILES CCOC(=O)CCCn1c(SCCOc2c(C)cccc2C)nc2c1cccc2
InChI Key PVFVLXVMUWVROC-UHFFFAOYSA-N
Molecular Formula C23H28N2O3S
Exact Mass 412.545 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PVFVLXVMUWVROC-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/PVFVLXVMUWVROC-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • ethyl 4-[2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91754992 pubchem
    The data in this table is sourced from UniChem at EBI.