Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H26N2O3S/c1-17(2)27-21(25)13-8-14-24-20-12-7-6-11-19(20)23-22(24)28-16-15-26-18-9-4-3-5-10-18/h3-7,9-12,17H,8,13-16H2,1-2H3
SMILES CC(OC(=O)CCCn1c(SCCOc2ccccc2)nc2c1cccc2)C
InChI Key XZJIATPLWXDAGY-UHFFFAOYSA-N
Molecular Formula C22H26N2O3S
Exact Mass 398.518 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XZJIATPLWXDAGY-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/XZJIATPLWXDAGY-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-24
Related Molecule
  • propan-2-yl 4-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    78243694 pubchem
    The data in this table is sourced from UniChem at EBI.