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/C18H18/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h2-6,10,12-13H,1,7-9,11H2
SMILES C=Cc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key ITQUKLNMBHVYJB-UHFFFAOYSA-N
Molecular Formula C18H18
Exact Mass 234.336 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ITQUKLNMBHVYJB-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ITQUKLNMBHVYJB-UHFFFAOYSA-N/CHMO0001146
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-05
Related Molecule
  • 5-ethenyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13170366 eMolecules
    16485164 PubChem: Thomson Pharma
    J889.227J Nikkaji
    ZINC000003136801 ZINC
    MCULE-6088870673 Mcule
    20122797 NMRShiftDB
    4157588 PubChem
    The data in this table is sourced from UniChem at EBI.