Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H27N3O2S/c1-15(2)23-20(26)14-25-19-11-6-5-10-18(19)24-22(25)28-13-12-27-21-16(3)8-7-9-17(21)4/h5-11,15H,12-14H2,1-4H3,(H,23,26)
SMILES CC(NC(=O)Cn1c(SCCOc2c(C)cccc2C)nc2c1cccc2)C
InChI Key MFWMXNRGBDSARQ-UHFFFAOYSA-N
Molecular Formula C22H27N3O2S
Exact Mass 397.534 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MFWMXNRGBDSARQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/MFWMXNRGBDSARQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • 2-[2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042815 pubchem
    The data in this table is sourced from UniChem at EBI.