Dataset

Pseudopelletierin.aptjmod

Chemical Info

molecular Image
InChI InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
SMILES CN1C2CCCC1CC(=O)C2
InChI Key RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Molecular Formula C9H15NO
Exact Mass 153.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p46.s266.d1563
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1563
Version
Author Georg Heß, Peter Haiss, Dorothee Wistuba, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker, Prof. Dr. Klaus-Peter Zeller
Maintainer
Language english
MetadataCreated 2024-04-22T16:00:36.056746
MetadataModified 2024-09-23T09:30:59.842644
MetadataPublished 2023-12-25 01:55:15
Related Molecule
  • 9-methyl-9-azabicyclo[3.3.1]nonan-3-one
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 298 K

    magnetic field strength : 16.441341131547752 Tesla

    number of scans : 512 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 230.862893054165

    number of data points : 2 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    11096 PubChem
    SCHEMBL551145 SureChEMBL
    CHEMBL2219893 ChEMBL
    LSM-1370 LINCS
    552-70-5 ACToR
    PD053436 ProbesDrugs
    29541937 eMolecules
    CB0243920 ChemicalBook
    HMDB0034580 Human Metabolome Database
    C10865 KEGG Ligand
    J14.215H Nikkaji
    60001976 NMRShiftDB
    MCULE-4596962992 Mcule
    The data in this table is sourced from UniChem at EBI.