Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
SMILES C#CCc1ccccc1
InChI Key NGKSKVYWPINGLI-UHFFFAOYSA-N
Molecular Formula C9H8
Exact Mass 116.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGKSKVYWPINGLI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NGKSKVYWPINGLI-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-16
Related Molecule
  • prop-2-ynylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : CCP-3706

    date : 20240202

    starting time : 15.26 h

    label : CCP-3536

    id : 293914

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    4243 surechembl
    570776 surechembl
    575753 pubchem
    EU32H24A0A fdasrs
    224800 brenda
    225201 brenda
    Molport-001-785-412 molport
    The data in this table is sourced from UniChem at EBI.