Dataset

485-35-8[hnHMQC.ser.dx]

485-35-8

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
SMILES O=C1C=CC=C2C3CNCC(C3)CN21
InChI Key ANJTVLIZGCUXLD-UHFFFAOYSA-N
Molecular Formula C11H14N2O
Exact Mass 190.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s68.d372
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D372
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • 7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • Field Value
    Measurement Technique heteronuclear multiple quantum coherence
    Measurement Variables
    NMR solvent : CD2Cl2

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003

    Temperature : 293 K

    magnetic field strength : 14.096654402599738 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : hmqcgpqf

    Spectral Width : [7.69444540779813, 250]

    number of data points : [2048, 256] points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:111178 chebi
    472026 surechembl
    22407 pubchem
    5347 gtopdb
    PD055304 probes_and_drugs
    HMDB0242209 hmdb
    1282816 bindingdb
    1282817 bindingdb
    1282818 bindingdb
    1282819 bindingdb
    Molport-000-163-367 molport
    Molport-044-562-663 molport
    The data in this table is sourced from UniChem at EBI.