Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H14BNO3/c21-19(22)13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)20/h1-12,21-22H
SMILES OB(c1ccc(cc1)N1c2ccccc2Oc2c1cccc2)O
InChI Key JJCYYIFOWPAIAW-UHFFFAOYSA-N
Molecular Formula C18H14BNO3
Exact Mass 303.120 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JJCYYIFOWPAIAW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JJCYYIFOWPAIAW-UHFFFAOYSA-N/CHMO0000593
Version
Author André Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-16
Related Molecule
  • (4-phenoxazin-10-ylphenyl)boronic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Aug03-2024

    date : 20240804

    starting time : 13.32 h

    label : AJ-424

    id : 192688

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    17752454 surechembl
    29533491 surechembl
    140917349 pubchem
    The data in this table is sourced from UniChem at EBI.