Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C28H29NO6S/c1-30-22-14-20(15-23(31-2)27(22)34-5)29(19-11-9-18(10-12-19)26-8-7-13-36-26)21-16-24(32-3)28(35-6)25(17-21)33-4/h7-17H,1-6H3
SMILES COc1cc(cc(c1OC)OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)c1cccs1
InChI Key BHUWFGGHQFTFIX-UHFFFAOYSA-N
Molecular Formula C28H29NO6S
Exact Mass 507.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHUWFGGHQFTFIX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BHUWFGGHQFTFIX-UHFFFAOYSA-N/CHMO0000593
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169408874 PubChem
    The data in this table is sourced from UniChem at EBI.