Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H18S/c1-3-16-4-2-15(1)5-6-17-8-10-18(9-7-16)20(13-17)19-11-12-21-14-19/h1-4,8,10-14H,5-7,9H2
SMILES s1ccc(c1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key GOVQMDQNGYKJEV-UHFFFAOYSA-N
Molecular Formula C20H18S
Exact Mass 290.422 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GOVQMDQNGYKJEV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GOVQMDQNGYKJEV-UHFFFAOYSA-N/CHMO0000595
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-22
Related Molecule
  • 3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)thiophene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145707045 PubChem
    The data in this table is sourced from UniChem at EBI.