Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)6-9-10/h2-6,10H,1H3/b9-6+
SMILES O/N=C/c1ccc(cc1)C
InChI Key SRNDYVBEUZSFEZ-RMKNXTFCSA-N
Exact Mass 135.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SRNDYVBEUZSFEZ-RMKNXTFCSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SRNDYVBEUZSFEZ-RMKNXTFCSA-N/CHMO0000595
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000595
    Measurement Variables
    Date : 2024-02-10

    Start time : 19:04:23 UTC

    Creator : Simay Aydonat

    Label : ASI-369

    ID : 143289

    Solvent : CDCl3

    Temperature : 295.86 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Name : TopSpin

    Version : 3.6.5

    Data-Source Molecule ID Data-Source
    5372131 PubChem
    SCHEMBL762978 SureChEMBL
    2738080 eMolecules
    16080849 PubChem: Thomson Pharma
    260125 Brenda
    J108.702I Nikkaji
    ZINC000017303025 ZINC
    J141.184E Nikkaji
    The data in this table is sourced from UniChem at EBI.