Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+
SMILES O/N=C/CCc1ccccc1
InChI Key WSTRHGOVAOUOJW-CSKARUKUSA-N
Exact Mass 149.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WSTRHGOVAOUOJW-CSKARUKUSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WSTRHGOVAOUOJW-CSKARUKUSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-(3-phenylpropylidene)hydroxylamine
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000005773267 ZINC
    J372.443C Nikkaji
    C17236 KEGG Ligand
    DTXSID30879504 EPA CompTox Dashboard
    SCHEMBL368054 SureChEMBL
    14747872 PubChem: Thomson Pharma
    9610218 PubChem
    33483068 eMolecules
    The data in this table is sourced from UniChem at EBI.