Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)
SMILES CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key QCROPDZMEXJRNG-UHFFFAOYSA-N
Molecular Formula C20H23N3OS
Exact Mass 353.481 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCROPDZMEXJRNG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/QCROPDZMEXJRNG-UHFFFAOYSA-N/CHMO0000630
Version
Author Lamiaa Abdelhaleem
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-01
Related Molecule
  • 1-ethyl-3-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)thiourea
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165417019 PubChem
    The data in this table is sourced from UniChem at EBI.