Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H20/c1-3-17-13-15-5-6-16-8-10-20(18(4-2)14-16)12-11-19(17)9-7-15/h3-4,7-10,13-14H,1-2,5-6,11-12H2
SMILES C=Cc1cc2ccc1CCc1ccc(CC2)cc1C=C
InChI Key FURJPBBXDVSGQT-UHFFFAOYSA-N
Molecular Formula C20H20
Exact Mass 260.373 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FURJPBBXDVSGQT-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/FURJPBBXDVSGQT-UHFFFAOYSA-N/CHMO0001150
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-25T11:54:57.371309
MetadataModified 2025-02-25T12:01:42.397305
MetadataPublished
Related Molecule
  • 5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : Mar13-2024

    date : 20240313

    starting time : 16.24 h

    instrument : Avance NEO

    label : HT-74

    id : 116309

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    J1.057.316E Nikkaji
    ESUPEO CCDC
    15815967 PubChem: Thomson Pharma
    10777766 PubChem
    The data in this table is sourced from UniChem at EBI.