Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 5,11-diethynyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Feb09-2024

    date : 20240210

    starting time : 12.54 h

    label : HT-1208

    id : 293246

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    CIKBUU CCDC
    J1.582.986I Nikkaji
    16228116 PubChem: Thomson Pharma
    11149538 PubChem
    The data in this table is sourced from UniChem at EBI.