Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3
SMILES CC(=O)OCC#Cc1ccccc1N
InChI Key GNQNEWXHZQXHCS-UHFFFAOYSA-N
Molecular Formula C11H11NO2
Exact Mass 189.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNQNEWXHZQXHCS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GNQNEWXHZQXHCS-UHFFFAOYSA-N/CHMO0000593
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 3-(2-aminophenyl)prop-2-ynyl acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139665687 PubChem
    The data in this table is sourced from UniChem at EBI.