Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H13NO/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)9-11-10-17-11/h1-8,11H,9-10H2
SMILES c1ccc2c(c1)n(CC1CO1)c1c2cccc1
InChI Key VAJIZAPXBKMPRO-UHFFFAOYSA-N
Molecular Formula C15H13NO
Exact Mass 223.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VAJIZAPXBKMPRO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/VAJIZAPXBKMPRO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 9-(oxiran-2-ylmethyl)carbazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20170573 NMRShiftDB
    MCULE-6478357943 Mcule
    723926 eMolecules
    15093072 PubChem: Thomson Pharma
    SCHEMBL409180 SureChEMBL
    J228.089B Nikkaji
    DTXSID70379573 EPA CompTox Dashboard
    2775507 PubChem
    The data in this table is sourced from UniChem at EBI.