Dataset

OH-AMINE PURE[2]

This dataset contains NMR spectra obtained for the sample -OH-AMINE PURE

Chemical Information

molecular Image
InChI InChI=1S/C15H17NO2/c16-9-8-12-6-7-15(14(17)10-12)18-11-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11,16H2
SMILES NCCC1=CC(O)=C(OCC2=CC=CC=C2)C=C1
InChI Key VEOXVIUXSFRYTN-UHFFFAOYSA-N
Molecular Formula C15H17NO2
Exact Mass 243.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p21.s155.d693
License URL
Source https://nmrxiv.org/D693
Version
Author Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language english
MetadataPublished 2023-11-23T22:29:51.000000Z
Related Molecule
  • 5-(2-aminoethyl)-2-phenylmethoxyphenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003

    Temperature : 298.2 K

    magnetic field strength : 11.743848685759856 Tesla

    number of scans : 2048 scans

    nuclear magnetic resonance pulse sequence : zgpg

    Spectral Width : 238.768728992791

    number of data points : 72068 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    561086 PubChem
    31592071 eMolecules
    ZINC000065734638 ZINC
    DTXSID30340042 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.