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/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/BMYMQUMNIXYUGD-UHFFFAOYSA-N/CHMO0001146.1
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 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2024-09-13

    starting time : 18:34:29 UTC

    creator : Yuting Li

    label : YTL-790

    id : 323145

    Solvent : CDCl3

    temperature : 296.3152 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.