Dataset

Cytisin[4]

This dataset contains NMR spectra obtained for the sample containing Cytisin

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m1/s1
SMILES O=C1C=CC=C2[C@@H]3CNC[C@@H](C3)CN21
InChI Key ANJTVLIZGCUXLD-BDAKNGLRSA-N
Exact Mass 190.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p126.s1330.d5873
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5873
Version
Author
Maintainer
Language english
MetadataPublished 2025-08-31T18:59:53.000000Z
Related Molecule
  • (1S,9R)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    683511 PubChem
    MCULE-3213872611 Mcule
    16337418 PubChem: Thomson Pharma
    SCHEMBL12214109 SureChEMBL
    60025682 NMRShiftDB
    ZINC000000049583 ZINC
    J1.490.983D Nikkaji
    The data in this table is sourced from UniChem at EBI.