Dataset

Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate.hmqc

Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate

Chemical Information

molecular Image
InChI InChI=1S/C16H21NO4/c1-4-10-21-14-8-6-13(7-9-14)11-15(17-12(3)18)16(19)20-5-2/h4,6-9,15H,1,5,10-11H2,2-3H3,(H,17,18)
SMILES C=CCOC1=CC=C(CC(NC(C)=O)C(=O)OCC)C=C1
InChI Key MBTNHLBOGYEUJA-UHFFFAOYSA-N
Molecular Formula C16H21NO4
Exact Mass 291.340 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p12.s77.d453
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D453
Version
Author Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language english
MetadataPublished 2022-11-09 09:57:24
Related Molecule
  • ethyl 2-acetamido-3-(4-prop-2-enoxyphenyl)propanoate
    • Field Value
    Measurement Technique heteronuclear multiple quantum coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm DUL 13C-1H/2H Z-GRD Z8246/00076 ,

    Temperature : [294, 300] K

    irradiation frequency : 400.14 MHz , 100.615283 MHz

    magnetic field strength : 9.397926179034085 Tesla

    number of scans : [2, 16] scans

    nuclear magnetic resonance pulse sequence : hmqcgpqf ,

    Spectral Width : 11.9842306315342 , 169.88073678975

    number of data points : 6 points

    relaxation time measurement : 1.40743 seconds

    Data-Source Molecule ID Data-Source
    14632355 PubChem
    SCHEMBL8260495 SureChEMBL
    The data in this table is sourced from UniChem at EBI.