Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2
SMILES C#CCCCC#C
InChI Key RSPZSDWVQWRAEF-UHFFFAOYSA-N
Molecular Formula C7H8
Exact Mass 92.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RSPZSDWVQWRAEF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RSPZSDWVQWRAEF-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-06
Related Molecule
  • hepta-1,6-diyne
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14891400 PubChem: Thomson Pharma
    2396-63-6 ACToR
    505374 eMolecules
    J49.274D Nikkaji
    CB9250208 ChemicalBook
    SCHEMBL973460 SureChEMBL
    ZINC000001582544 ZINC
    DTXSID2062373 EPA CompTox Dashboard
    337121 PubChem
    MCULE-5922749271 Mcule
    The data in this table is sourced from UniChem at EBI.