Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H16/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h1-2,5-6,9-10,13-14H,7-8,11-12H2
SMILES C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#C
InChI Key BMYMQUMNIXYUGD-UHFFFAOYSA-N
Molecular Formula C20H16
Exact Mass 256.341 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0000595.2
License URL
Source https://www.chemotion-repository.net/inchikey/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0000595.2
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-23
Related Molecule
  • 5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2024-09-13

    Start time : 05:40:51 UTC

    Creator : Yuting Li

    Label : YTL-790

    ID : 323145

    Solvent : CDCl3

    Temperature : 296.6627 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    11149538 pubchem
    CIKBUU CCDC
    The data in this table is sourced from UniChem at EBI.