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/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3
SMILES CC(=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key BMIQCMMQLWBYIU-UHFFFAOYSA-N
Molecular Formula C18H18O
Exact Mass 250.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMIQCMMQLWBYIU-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BMIQCMMQLWBYIU-UHFFFAOYSA-N/CHMO0001146
Version
Author Patrick Kern
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-05
Related Molecule
  • 1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-4887082613 Mcule
    J1.060.350A Nikkaji
    PICNUK CCDC
    SCHEMBL2440685 SureChEMBL
    ZINC000003123047 ZINC
    3506592 PubChem
    16156828 PubChem: Thomson Pharma
    1079965 eMolecules
    The data in this table is sourced from UniChem at EBI.