Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H20/c1-2-3-9-12-10-7-5-4-6-8-11-12/h4-5,11H,2-3,6-10H2,1H3/b5-4-,12-11-
SMILES CCCCC1=CCCC=CCC1
InChI Key HGTUPIAWHKDTOB-NHTRZOJKSA-N
Molecular Formula C12H20
Exact Mass 164.287 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HGTUPIAWHKDTOB-NHTRZOJKSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/HGTUPIAWHKDTOB-NHTRZOJKSA-N/NMR/1H/CDCl3/400
Version
Author Mirja Enders
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (1Z,5Z)-1-butylcycloocta-1,5-diene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427506 PubChem
    J3.477.157J Nikkaji
    SCHEMBL15511407 SureChEMBL
    The data in this table is sourced from UniChem at EBI.