Dataset

Eserine[59]

A sample containing Eserine

Chemical Information

molecular Image
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
SMILES CNC(=O)OC1=CC2=C(C=C1)N(C)C1N(C)CCC21C
InChI Key PIJVFDBKTWXHHD-UHFFFAOYSA-N
Molecular Formula C15H21N3O2
Exact Mass 275.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p8.s48.d158
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D158
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T12:13:15.000000Z
Related Molecule
  • (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '15N']

    NMR spectrum by dimensionality : 2

    NMR probe : Z116098_0551 (PA BBO 400S1 BBF-H-D-05 Z SP)

    Temperature : 296.9383 K

    magnetic field strength : 9.397691313082694 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : hmbcgpndqf

    Spectral Width : [13.9879072888438, 1503.30493718474]

    number of data points : 2 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    20054745 NMRShiftDB
    4811 PubChem
    PD071427 ProbesDrugs
    16182158 PubChem: Thomson Pharma
    57-47-6 ACToR
    SCHEMBL24045 SureChEMBL
    182905 ChEBI
    1971450 eMolecules
    CHEMBL11773 ChEMBL
    MCULE-3610265172 Mcule
    10709 BindingDB
    J2.708.708F Nikkaji
    The data in this table is sourced from UniChem at EBI.