Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

Molecular Image
InChI InChI=1S/C15H14N2O2/c1-19-12-6-4-11(5-7-12)9-17-10-14-13(15(17)18)3-2-8-16-14/h2-8H,9-10H2,1H3
SMILES COc1ccc(cc1)CN1Cc2c(C1=O)cccn2
InChI Key NRHSYYWFPJVZNX-UHFFFAOYSA-N
Exact Mass 254.284 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NRHSYYWFPJVZNX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NRHSYYWFPJVZNX-UHFFFAOYSA-N/CHMO0000593
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
  • 6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2023-07-17

    Starting time : 18:54:39 UTC

    Creator : Philip Freund

    label : PFR-13

    id : 153951

    Solvent used for referencing : CDCl3

    temperature : 301.6602 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Name : Parameter file, TOPSPIN Version 3.2

    Version : Parameter file, TOPSPIN Version 3.2

    Data-Source Molecule ID Data-Source
    30057596 surechembl
    9943014 pubchem
    The data in this table is sourced from UniChem at EBI.