Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H20/c1-3-17-13-15-5-9-19(17)11-7-16-6-10-20(12-8-15)18(4-2)14-16/h3-6,9-10,13-14H,1-2,7-8,11-12H2
SMILES C=Cc1cc2CCc3ccc(CCc1cc2)cc3C=C
InChI Key TTXZIYBDKNEJBG-UHFFFAOYSA-N
Molecular Formula C20H20
Exact Mass 260.373 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TTXZIYBDKNEJBG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/TTXZIYBDKNEJBG-UHFFFAOYSA-N/CHMO0000593
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,11-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Aug18-2023

    date : 20230818

    starting time : 10.23 h

    label : HT-645

    id : 211089

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    15364513 pubchem
    ESUPOY CCDC
    The data in this table is sourced from UniChem at EBI.