Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C26H23NO4S/c1-28-22-11-7-20(8-12-22)27(21-9-13-23(29-2)14-10-21)19-5-3-18(4-6-19)26-25-24(17-32-26)30-15-16-31-25/h3-14,17H,15-16H2,1-2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1scc2c1OCCO2
InChI Key YFMXADMHXAEZBA-UHFFFAOYSA-N
Molecular Formula C26H23NO4S
Exact Mass 445.530 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YFMXADMHXAEZBA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YFMXADMHXAEZBA-UHFFFAOYSA-N/CHMO0000595
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12176551 surechembl
    68207674 pubchem
    The data in this table is sourced from UniChem at EBI.