Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
SMILES O=Cc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key BAIBHOHKSYVVCM-UHFFFAOYSA-N
Molecular Formula C17H16O
Exact Mass 236.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BAIBHOHKSYVVCM-UHFFFAOYSA-N/13CNMR.2
License URL
Source https://www.chemotion-repository.net/inchikey/BAIBHOHKSYVVCM-UHFFFAOYSA-N/13CNMR.2
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-11
Related Molecule
  • tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10444783 SureChEMBL
    16192765 PubChem: Thomson Pharma
    569098 PubChem
    J2.584.669I Nikkaji
    J2.584.670B Nikkaji
    ZINC000004788218 ZINC
    J638.001H Nikkaji
    VECQEA CCDC
    The data in this table is sourced from UniChem at EBI.