Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/BAIBHOHKSYVVCM-UHFFFAOYSA-N/CHMO0000596
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
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 distortionless enhancement with polarization transfer
    Measurement Variables
    Title : Jun11-2024

    Date : 20240611

    Start time : 23.55 h

    Label : KT-832

    ID : 307415

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 296.4 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : Avance NEO

    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.