Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
SMILES C#Cc1ccc(cc1)C#C
InChI Key MVLGANVFCMOJHR-UHFFFAOYSA-N
Molecular Formula C10H6
Exact Mass 126.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MVLGANVFCMOJHR-UHFFFAOYSA-N/CHMO0000593
Version
Author Cornelia Mattern
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-21
Related Molecule
  • 1,4-diethynylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL224048 chembl
    28871 surechembl
    5527826 surechembl
    9556793 surechembl
    120463 pubchem
    ETYNBZ CCDC
    DTXSID40918397 comptox
    Molport-001-760-407 molport
    The data in this table is sourced from UniChem at EBI.