Dataset

196793-29-0.hmbc

NMR datasets for 196793-29-0

Chemical Info

molecular Image
InChI InChI=1S/C18H25NO3/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)17(21)15-16(20)11(3)19-18(15)22/h5-6,9-14,20H,4,7-8H2,1-3H3,(H,19,22)
SMILES CC1CCC2C(C=CC(C)C2C(=O)C2=C(O)C(C)NC2=O)C1
InChI Key AJWRDTYJALCPNP-UHFFFAOYSA-N
Molecular Formula C18H25NO3
Exact Mass 303.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p11.s71.d413
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D413
Version
Author Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T.
Maintainer
Language english
MetadataPublished 2022-10-29 10:40:50
Related Molecule
  • nfdi4chem-mol2367 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8248/0157

    Temperature : 293.6 K

    irradiation frequency : 400.42 MHz , 100.685689 MHz

    magnetic field strength : 9.404502425673087 Tesla

    number of scans : 40 scans

    nuclear magnetic resonance pulse sequence : hmbcgplpndqf

    Spectral Width : 13.9777680542625 , 229.879761084156

    number of data points : [2048, 256] points

    relaxation time measurement : 1.5 seconds

    Data-Source Molecule ID Data-Source
    14898543 PubChem: Thomson Pharma
    CA0E3T9ZZ3 FDA SRS
    The data in this table is sourced from UniChem at EBI.