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/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3
SMILES Cc1ccc(cc1)C#Cc1ccccc1
InChI Key LENVYSAMNKKWEK-UHFFFAOYSA-N
Exact Mass 192.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LENVYSAMNKKWEK-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LENVYSAMNKKWEK-UHFFFAOYSA-N/CHMO0001146
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
  • 1-methyl-4-(2-phenylethynyl)benzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Jan24-2025

    date : 20250126

    starting time : 19.24 h

    label : AVC-659

    id : 341507

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    2831992 surechembl
    3014187 pubchem
    MIDHAI CCDC
    Molport-002-475-782 molport
    The data in this table is sourced from UniChem at EBI.