Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)
SMILES S=C(NCc1ccccc1)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key AHEWUPIXIDFYRQ-UHFFFAOYSA-N
Molecular Formula C25H25N3OS
Exact Mass 415.551 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AHEWUPIXIDFYRQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AHEWUPIXIDFYRQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Lamiaa Abdelhaleem
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-01
Related Molecule
  • 1-benzyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165111941 pubchem
    The data in this table is sourced from UniChem at EBI.