Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO/c1-8(2)11-10-5-3-9(7-12)4-6-10/h3-8,11H,1-2H3
SMILES O=Cc1ccc(cc1)NC(C)C
InChI Key FMWJFHMFGDMYAB-UHFFFAOYSA-N
Molecular Formula C10H13NO
Exact Mass 163.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FMWJFHMFGDMYAB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FMWJFHMFGDMYAB-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(propan-2-ylamino)benzaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4901085 SureChEMBL
    20190720 PubChem
    The data in this table is sourced from UniChem at EBI.