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/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h1-2,7-10,13-14H,5-6,11-12H2
SMILES C#Cc1cc2ccc1CCc1ccc(CC2)cc1C#C
InChI Key MXSVQOJVESTWLA-UHFFFAOYSA-N
Molecular Formula C20H16
Exact Mass 256.341 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MXSVQOJVESTWLA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MXSVQOJVESTWLA-UHFFFAOYSA-N/CHMO0000595
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 5,12-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
    Title : Mar04-2024

    Date : 20240305

    Start time : 0.30 h

    Label : HT-1241

    ID : 297198

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    12136016 PubChem
    CIKCAB CCDC
    J2.111.529K Nikkaji
    20182495 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.